 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer021_wB97XD-augccpVDZr.in
 Output=08_d-glucose_conformer021_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/08_d-glucose/Gau-40198.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/08_d-glucose/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     40211.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=08_d-glucose_conformer021_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 11:12:43 2021, MaxMem=  6442450944 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer021_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.802701000000      1.185868000000     -0.155223000000
  C                                                -1.539114000000     -0.058168000000      0.301617000000
  C                                                 0.694862000000      1.030292000000      0.045515000000
  C                                                 1.190748000000     -0.254953000000     -0.615577000000
  O                                                 0.429294000000     -1.375454000000     -0.150440000000
  C                                                -0.958807000000     -1.274656000000     -0.405424000000
  O                                                -1.212443000000      2.340377000000      0.564498000000
  H                                                -0.996847000000      1.328656000000     -1.227279000000
  O                                                -2.912981000000      0.125709000000     -0.006195000000
  H                                                -1.394142000000     -0.197407000000      1.379285000000
  H                                                 0.904711000000      0.974487000000      1.119148000000
  O                                                 1.399422000000      2.110875000000     -0.544610000000
  C                                                 2.641121000000     -0.568017000000     -0.289807000000
  H                                                 1.084130000000     -0.152517000000     -1.704362000000
  O                                                -1.593558000000     -2.403373000000      0.110234000000
  H                                                -1.121572000000     -1.189787000000     -1.491375000000
  H                                                -2.171127000000      2.411548000000      0.483789000000
  H                                                -3.392257000000     -0.655851000000      0.292660000000
  H                                                 1.018230000000      2.925417000000     -0.195277000000
  O                                                 2.840914000000     -0.797107000000      1.093949000000
  H                                                 3.260544000000      0.283592000000     -0.566380000000
  H                                                 2.952873000000     -1.437215000000     -0.881027000000
  H                                                -1.324223000000     -3.177621000000     -0.397061000000
  H                                                 2.217854000000     -1.483716000000      1.361779000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 11:12:43 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516124   0.000000
     3  C    1.518945   2.498196   0.000000
     4  C    2.502345   2.886540   1.528005   0.000000
     5  O    2.842218   2.411271   2.428279   1.432371   0.000000
     6  C    2.478134   1.522007   2.872412   2.388419   1.414921
     7  O    1.420837   2.434921   2.371387   3.728759   4.124783
     8  H    1.098811   2.134211   2.137967   2.769038   3.241245
     9  O    2.366311   1.419884   3.719876   4.166154   3.666756
    10  H    2.148946   1.096254   2.765886   3.265646   2.655706
    11  H    2.141018   2.776151   1.095371   2.145370   2.712950
    12  O    2.420043   3.749112   1.418560   2.376073   3.640193
    13  C    3.867058   4.252540   2.540661   1.519117   2.358719
    14  H    2.784104   3.303674   2.147705   1.098778   2.083041
    15  O    3.684912   2.353631   4.126877   3.590943   2.283966
    16  H    2.744215   2.160954   3.254261   2.643437   2.058583
    17  H    1.945049   2.555802   3.211518   4.429564   4.637437
    18  H    3.209101   1.947163   4.428171   4.689301   3.913875
    19  H    2.518616   3.960895   1.937536   3.212657   4.341238
    20  O    4.332269   4.512036   3.007348   2.437100   2.774689
    21  H    4.182477   4.889472   2.741295   2.139277   3.307781
    22  H    4.638070   4.845448   3.470689   2.138526   2.627931
    23  H    4.401194   3.203953   4.688188   3.861971   2.526549
    24  H    4.307171   4.155832   3.220604   2.544551   2.344669
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.751472   0.000000
     8  H    2.730225   2.068943   0.000000
     9  O    2.437048   2.849960   2.570933   0.000000
    10  H    2.129593   2.671561   3.046455   2.081065   0.000000
    11  H    3.294793   2.579851   3.040901   4.069594   2.593402
    12  O    4.128249   2.846863   2.611515   4.777823   4.102869
    13  C    3.670448   4.902912   4.208448   5.604439   4.382530
    14  H    2.668338   4.078786   2.598451   4.351790   3.956353
    15  O    1.393849   4.780666   4.009120   2.854941   2.552752
    16  H    1.101356   4.086188   2.535322   2.673095   3.049558
    17  H    3.981020   0.964704   2.340800   2.452650   2.865705
    18  H    2.606131   3.715221   3.462148   0.964290   2.320213
    19  H    4.646875   2.428051   2.770417   4.829962   4.248625
    20  O    4.112670   5.153041   4.963404   5.930364   4.286812
    21  H    4.500774   5.051422   4.433320   6.200899   5.067847
    22  H    3.943839   5.805997   4.834276   6.133213   5.053976
    23  H    1.937750   5.602267   4.593797   3.686315   3.470154
    24  H    3.641138   5.198681   4.994693   5.548610   3.834242
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.074658   0.000000
    13  C    2.716541   2.963647   0.000000
    14  H    3.045413   2.562689   2.144254   0.000000
    15  O    4.320786   5.455748   4.632609   3.940701   0.000000
    16  H    3.950283   4.259829   3.998528   2.446715   2.064149
    17  H    3.453926   3.727845   5.712617   4.686057   4.863804
    18  H    4.669584   5.596068   6.062065   4.927421   2.514444
    19  H    2.355149   0.964790   3.853154   3.428609   5.942287
    20  O    2.624512   3.635813   1.416750   3.366353   4.817917
    21  H    2.977967   2.608297   1.088768   2.494388   5.589266
    22  H    3.743257   3.887844   1.096465   2.412577   4.752483
    23  H    4.950458   5.950479   4.748209   4.081722   0.964028
    24  H    2.797495   4.150329   1.935303   3.529680   4.115701
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.239393   0.000000
    18  H    2.936644   3.307057   0.000000
    19  H    4.815966   3.301089   5.702277   0.000000
    20  O    4.747567   5.982334   6.286051   4.340676   0.000000
    21  H    4.714807   5.927403   6.773497   3.484958   2.025017
    22  H    4.127329   6.552181   6.499904   4.821375   2.079135
    23  H    2.278174   5.721185   3.333437   6.540250   5.023776
    24  H    4.402119   5.933557   5.770764   4.827419   0.965074
                   21         22         23         24
    21  H    0.000000
    22  H    1.776187   0.000000
    23  H    5.747065   4.642929   0.000000
    24  H    2.815737   2.360634   4.302225   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1719254           0.8169867           0.5340835
 Leave Link  202 at Mon Sep 27 11:12:44 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       832.2526422312 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0165564702 Hartrees.
 Nuclear repulsion after empirical dispersion term =      832.2360857610 Hartrees.
 Leave Link  301 at Mon Sep 27 11:12:46 2021, MaxMem=  6442450944 cpu:              14.0 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  5.61D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Mon Sep 27 11:12:47 2021, MaxMem=  6442450944 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 11:12:47 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer021_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 11:12:48 2021, MaxMem=  6442450944 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442110836 LenY=  6441943931
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -687.086509593399    
 DIIS: error= 2.30D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -687.086509593399     IErMin= 1 ErrMin= 2.30D-03
 ErrMax= 2.30D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-02 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.30D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 GapD=    0.448 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.07D-02 MaxDP=6.79D-01              OVMax= 1.57D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.02D-02    CP:  8.93D-01
 E= -687.095855547777     Delta-E=       -0.009345954378 Rises=F Damp=F
 DIIS: error= 3.63D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -687.095855547777     IErMin= 2 ErrMin= 3.63D-04
 ErrMax= 3.63D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.84D-04 BMatP= 1.12D-02
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.63D-03
 Coeff-Com: -0.313D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.312D-01 0.103D+01
 Gap=     0.388 Goal=   None    Shift=    0.000
 RMSDP=1.67D-03 MaxDP=1.04D-01 DE=-9.35D-03 OVMax= 4.73D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.71D-04    CP:  8.70D-01  1.12D+00
 E= -687.096098671571     Delta-E=       -0.000243123794 Rises=F Damp=F
 DIIS: error= 3.56D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -687.096098671571     IErMin= 3 ErrMin= 3.56D-04
 ErrMax= 3.56D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.53D-04 BMatP= 2.84D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.56D-03
 Coeff-Com: -0.416D-01 0.515D+00 0.527D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.415D-01 0.513D+00 0.528D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=2.11D-04 MaxDP=1.42D-02 DE=-2.43D-04 OVMax= 1.75D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.21D-05    CP:  8.66D-01  1.13D+00  1.13D+00
 E= -687.096276030392     Delta-E=       -0.000177358821 Rises=F Damp=F
 DIIS: error= 4.13D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -687.096276030392     IErMin= 4 ErrMin= 4.13D-05
 ErrMax= 4.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.10D-06 BMatP= 2.53D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.952D-04-0.569D-01 0.597D-01 0.997D+00
 Coeff:     -0.952D-04-0.569D-01 0.597D-01 0.997D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=2.00D-04 MaxDP=1.74D-02 DE=-1.77D-04 OVMax= 8.21D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.25D-05    CP:  8.62D-01  1.14D+00  1.27D+00  1.52D+00
 E= -687.096283871801     Delta-E=       -0.000007841408 Rises=F Damp=F
 DIIS: error= 2.81D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -687.096283871801     IErMin= 5 ErrMin= 2.81D-05
 ErrMax= 2.81D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.65D-07 BMatP= 5.10D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.319D-02-0.597D-01-0.180D-01 0.366D+00 0.709D+00
 Coeff:      0.319D-02-0.597D-01-0.180D-01 0.366D+00 0.709D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=3.52D-05 MaxDP=3.26D-03 DE=-7.84D-06 OVMax= 2.08D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.03D-05    CP:  8.62D-01  1.14D+00  1.29D+00  1.64D+00  1.18D+00
 E= -687.096284817342     Delta-E=       -0.000000945541 Rises=F Damp=F
 DIIS: error= 4.01D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -687.096284817342     IErMin= 6 ErrMin= 4.01D-06
 ErrMax= 4.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.55D-08 BMatP= 7.65D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.691D-03-0.830D-02-0.756D-02-0.736D-02 0.168D+00 0.855D+00
 Coeff:      0.691D-03-0.830D-02-0.756D-02-0.736D-02 0.168D+00 0.855D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=7.44D-06 MaxDP=5.86D-04 DE=-9.46D-07 OVMax= 7.48D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.78D-06    CP:  8.62D-01  1.14D+00  1.29D+00  1.67D+00  1.25D+00
                    CP:  1.08D+00
 E= -687.096284880924     Delta-E=       -0.000000063582 Rises=F Damp=F
 DIIS: error= 1.88D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -687.096284880924     IErMin= 7 ErrMin= 1.88D-06
 ErrMax= 1.88D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.23D-09 BMatP= 4.55D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.684D-04 0.297D-02-0.364D-03-0.406D-01-0.653D-02 0.304D+00
 Coeff-Com:  0.741D+00
 Coeff:     -0.684D-04 0.297D-02-0.364D-03-0.406D-01-0.653D-02 0.304D+00
 Coeff:      0.741D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.80D-06 MaxDP=1.00D-04 DE=-6.36D-08 OVMax= 2.21D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.39D-07    CP:  8.62D-01  1.14D+00  1.29D+00  1.68D+00  1.26D+00
                    CP:  1.10D+00  1.22D+00
 E= -687.096284888296     Delta-E=       -0.000000007372 Rises=F Damp=F
 DIIS: error= 6.27D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -687.096284888296     IErMin= 8 ErrMin= 6.27D-07
 ErrMax= 6.27D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-09 BMatP= 7.23D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.928D-04 0.204D-02 0.758D-03-0.161D-01-0.201D-01 0.281D-01
 Coeff-Com:  0.311D+00 0.695D+00
 Coeff:     -0.928D-04 0.204D-02 0.758D-03-0.161D-01-0.201D-01 0.281D-01
 Coeff:      0.311D+00 0.695D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=7.21D-07 MaxDP=4.10D-05 DE=-7.37D-09 OVMax= 7.61D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.43D-07    CP:  8.62D-01  1.14D+00  1.29D+00  1.68D+00  1.26D+00
                    CP:  1.11D+00  1.29D+00  1.18D+00
 E= -687.096284889349     Delta-E=       -0.000000001053 Rises=F Damp=F
 DIIS: error= 1.50D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -687.096284889349     IErMin= 9 ErrMin= 1.50D-07
 ErrMax= 1.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.09D-11 BMatP= 1.03D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.188D-04 0.249D-03 0.265D-03-0.178D-03-0.454D-02-0.235D-01
 Coeff-Com:  0.334D-02 0.172D+00 0.852D+00
 Coeff:     -0.188D-04 0.249D-03 0.265D-03-0.178D-03-0.454D-02-0.235D-01
 Coeff:      0.334D-02 0.172D+00 0.852D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=3.39D-07 MaxDP=2.87D-05 DE=-1.05D-09 OVMax= 2.71D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.02D-07    CP:  8.62D-01  1.14D+00  1.29D+00  1.67D+00  1.26D+00
                    CP:  1.11D+00  1.31D+00  1.23D+00  1.20D+00
 E= -687.096284889441     Delta-E=       -0.000000000092 Rises=F Damp=F
 DIIS: error= 4.39D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -687.096284889441     IErMin=10 ErrMin= 4.39D-08
 ErrMax= 4.39D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.99D-12 BMatP= 5.09D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.222D-05-0.108D-03 0.207D-04 0.153D-02 0.258D-03-0.114D-01
 Coeff-Com: -0.265D-01-0.310D-03 0.294D+00 0.742D+00
 Coeff:      0.222D-05-0.108D-03 0.207D-04 0.153D-02 0.258D-03-0.114D-01
 Coeff:     -0.265D-01-0.310D-03 0.294D+00 0.742D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=8.14D-08 MaxDP=7.67D-06 DE=-9.21D-11 OVMax= 7.99D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.48D-08    CP:  8.62D-01  1.14D+00  1.29D+00  1.67D+00  1.26D+00
                    CP:  1.11D+00  1.31D+00  1.24D+00  1.28D+00  1.18D+00
 E= -687.096284889433     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 2.63D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -687.096284889441     IErMin=11 ErrMin= 2.63D-08
 ErrMax= 2.63D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-12 BMatP= 6.99D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.284D-05-0.705D-04-0.252D-04 0.654D-03 0.600D-03-0.203D-02
 Coeff-Com: -0.115D-01-0.208D-01 0.213D-01 0.323D+00 0.689D+00
 Coeff:      0.284D-05-0.705D-04-0.252D-04 0.654D-03 0.600D-03-0.203D-02
 Coeff:     -0.115D-01-0.208D-01 0.213D-01 0.323D+00 0.689D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=1.72D-08 MaxDP=1.02D-06 DE= 7.50D-12 OVMax= 2.99D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.56D-09    CP:  8.62D-01  1.14D+00  1.29D+00  1.67D+00  1.26D+00
                    CP:  1.11D+00  1.31D+00  1.24D+00  1.30D+00  1.25D+00
                    CP:  1.16D+00
 E= -687.096284889482     Delta-E=       -0.000000000048 Rises=F Damp=F
 DIIS: error= 4.64D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -687.096284889482     IErMin=12 ErrMin= 4.64D-09
 ErrMax= 4.64D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.65D-14 BMatP= 1.23D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.509D-06-0.612D-05-0.988D-05 0.165D-05 0.123D-03 0.676D-03
 Coeff-Com:  0.149D-03-0.437D-02-0.272D-01 0.306D-04 0.176D+00 0.854D+00
 Coeff:      0.509D-06-0.612D-05-0.988D-05 0.165D-05 0.123D-03 0.676D-03
 Coeff:      0.149D-03-0.437D-02-0.272D-01 0.306D-04 0.176D+00 0.854D+00
 Gap=     0.386 Goal=   None    Shift=    0.000
 RMSDP=9.14D-09 MaxDP=7.27D-07 DE=-4.82D-11 OVMax= 1.12D-07

 SCF Done:  E(RwB97XD) =  -687.096284889     A.U. after   12 cycles
            NFock= 12  Conv=0.91D-08     -V/T= 2.0059
 KE= 6.830854136203D+02 PE=-3.276920162684D+03 EE= 1.074502378414D+03
 Leave Link  502 at Mon Sep 27 11:20:01 2021, MaxMem=  6442450944 cpu:            3466.6 elap:             433.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.63722128D+02

 Leave Link  801 at Mon Sep 27 11:20:02 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 1.06D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 1.53D-01 4.02D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 3.19D-02 2.11D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 3.82D-03 9.78D-03.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 3.65D-04 2.29D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 3.85D-05 7.37D-04.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 1.45D-06 1.58D-04.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 5.28D-08 2.56D-05.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 1.71D-09 3.57D-06.
     11 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 6.47D-11 6.47D-07.
      8 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 1.48D-12 1.11D-07.
      1 vectors produced by pass 11 Test12= 2.69D-13 8.33D-09 XBig12= 2.94D-14 1.20D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.110087D+03
      2  0.118364D+01  0.103210D+03
      3 -0.179674D+01  0.132408D+00  0.869430D+02
 Isotropic polarizability for W=    0.088559      100.08 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.193882D+02 -0.133748D+02  0.123796D+02
      2  -0.221579D+02  0.113680D+02  0.967639D+01
      3   0.276971D+01  0.200683D+01 -0.220559D+02
      4  -0.142118D+02 -0.982034D+01 -0.107168D+02
      5  -0.973239D+01 -0.977249D+01  0.283969D+02
      6  -0.773306D+01 -0.109972D+02 -0.527838D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.189026D+01 -0.891111D+01 -0.115959D+01
      2   0.119285D+02 -0.349538D+01  0.142718D+02
      3   0.246681D+01 -0.772358D+01  0.174268D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.944293D+00 -0.206736D+02  0.728522D+01
      2   0.221119D+02 -0.298373D+01  0.256272D+02
      3  -0.837001D+00 -0.123375D+02  0.203944D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.640280D+00 -0.574559D+00  0.479223D+00
      2  -0.574559D+00  0.107054D+01  0.241477D-01
      3   0.479223D+00  0.241477D-01 -0.292702D+00
 OR G Eigenvalues:    -1.0893    -0.0281     1.2550  Iso=    -0.0459
 Eigenvectors:
   (1)   0.831497   0.226864  -0.507095
   (2)   0.462490   0.223000   0.858122
   (3)  -0.307760   0.948053  -0.080501
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0459 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =      -12.91 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 1.19D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.12D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 2.91D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 4.76D-02 2.04D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 1.67D-03 4.16D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 2.84D-05 4.91D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 6.76D-07 6.94D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 1.33D-08 1.15D-05.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 1.75D-10 9.76D-07.
     30 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 1.62D-12 1.12D-07.
     17 vectors produced by pass  8 Test12= 4.48D-14 2.78D-09 XBig12= 1.29D-14 8.35D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   257 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 2.72D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 2.72D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.97D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110087D+03  0.118364D+01 -0.179674D+01
      2   0.118364D+01  0.103210D+03  0.132408D+00
      3  -0.179674D+01  0.132408D+00  0.869430D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.189026D+01 -0.891111D+01 -0.115959D+01
      2   0.119285D+02 -0.349538D+01  0.142718D+02
      3   0.246681D+01 -0.772358D+01  0.174268D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.193882D+02 -0.133748D+02  0.123796D+02
      2  -0.221579D+02  0.113680D+02  0.967639D+01
      3   0.276971D+01  0.200683D+01 -0.220559D+02
      4  -0.142118D+02 -0.982034D+01 -0.107168D+02
      5  -0.973239D+01 -0.977249D+01  0.283969D+02
      6  -0.773306D+01 -0.109972D+02 -0.527838D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.373766D+01  0.532936D+00  0.329159D-01 -0.248296D+00  0.276678D+01
      2   0.532936D+00  0.333837D+01  0.210600D+00  0.276678D+01 -0.145278D+01
      3   0.329159D-01  0.210600D+00  0.106878D+01  0.531515D+00 -0.153740D+01
                 6             7             8             9            10 
      1   0.531515D+00 -0.359321D+00  0.487799D+00  0.139903D+01  0.475719D+01
      2  -0.153740D+01  0.487799D+00 -0.274285D+01 -0.134899D+01 -0.754335D+00
      3  -0.386918D+00  0.139903D+01 -0.134899D+01  0.788620D+01  0.135293D+00
                11            12            13            14            15 
      1  -0.754335D+00  0.135293D+00 -0.959861D+00 -0.276831D+01 -0.206196D+00
      2  -0.257295D+01 -0.692901D-01 -0.276831D+01 -0.400656D+00  0.986425D+00
      3  -0.692901D-01 -0.269220D+01 -0.206196D+00  0.986425D+00  0.172037D+01
                16            17            18            19            20 
      1   0.110077D+01 -0.370028D+00 -0.163748D+01  0.309794D+01 -0.511166D+00
      2  -0.370028D+00  0.171141D+01  0.103962D+01 -0.511166D+00 -0.296029D+01
      3  -0.163748D+01  0.103962D+01 -0.745643D+01  0.121647D+00  0.444055D+00
                21            22            23            24            25 
      1   0.121647D+00 -0.838235D+00 -0.362654D+01  0.168973D+00  0.772877D+00
      2   0.444055D+00 -0.362654D+01  0.817616D+00  0.163560D+01  0.583450D+00
      3  -0.967673D+00  0.168973D+00  0.163560D+01  0.153111D+01 -0.149956D+01
                26            27            28            29            30 
      1   0.583450D+00 -0.149956D+01 -0.180381D+01  0.221430D+01 -0.668566D+00
      2   0.235005D+01  0.109272D+01  0.221430D+01  0.270953D+01 -0.124306D+00
      3   0.109272D+01 -0.720417D+01 -0.668566D+00 -0.124306D+00  0.364697D+00
                31            32            33            34            35 
      1   0.252129D+01  0.376284D+01  0.790119D+00 -0.218745D+01  0.446535D+00
      2   0.376284D+01 -0.114546D+01 -0.180981D+01  0.446535D+00 -0.228769D+01
      3   0.790119D+00 -0.180981D+01 -0.185152D+01  0.403672D+00 -0.745633D+00
                36            37            38            39            40 
      1   0.403672D+00  0.529432D+01 -0.172913D+01 -0.172007D+00 -0.334513D+01
      2  -0.745633D+00 -0.172913D+01 -0.151469D+00 -0.278160D+00 -0.110120D+01
      3   0.712984D+01 -0.172007D+00 -0.278160D+00 -0.478154D+00 -0.237631D+00
                41            42            43            44            45 
      1  -0.110120D+01 -0.237631D+00  0.225160D+01  0.516470D+00  0.151156D+00
      2  -0.367238D+01  0.735977D+00  0.516470D+00  0.142570D+01 -0.393902D+00
      3   0.735977D+00  0.871240D+00  0.151156D+00 -0.393902D+00 -0.102606D+01
                46            47            48            49            50 
      1  -0.508072D+01 -0.583402D+00  0.169691D+00  0.112706D+01  0.263815D+01
      2  -0.583402D+00  0.110188D+01  0.461760D+00  0.263815D+01 -0.100836D+01
      3   0.169691D+00  0.461760D+00  0.160544D+01 -0.190136D+00 -0.121554D+01
                51            52            53            54            55 
      1  -0.190136D+00 -0.928584D+00 -0.838096D-01  0.169756D+01  0.517807D+01
      2  -0.121554D+01 -0.838096D-01 -0.196603D+01 -0.900606D+00 -0.191850D+00
      3  -0.240672D+01  0.169756D+01 -0.900606D+00  0.750680D+01  0.418066D+00
                56            57            58            59            60 
      1  -0.191850D+00  0.418066D+00  0.834595D+00 -0.143772D+01 -0.408127D+00
      2   0.554325D+00  0.249697D+00 -0.143772D+01  0.686508D+01  0.187033D+01
      3   0.249697D+00  0.579812D+00 -0.408127D+00  0.187033D+01  0.256456D+00
                61            62            63            64            65 
      1   0.132698D+01 -0.878121D+00 -0.672330D+00 -0.151517D+00  0.610951D-01
      2  -0.878121D+00  0.303742D+01  0.187018D+01  0.610951D-01 -0.864034D+00
      3  -0.672330D+00  0.187018D+01  0.634537D+00 -0.110986D+01  0.129091D+00
                66            67            68            69            70 
      1  -0.110986D+01  0.212605D+00 -0.708331D+00  0.105252D+00 -0.195437D+01
      2   0.129091D+00 -0.708331D+00  0.765015D+00 -0.101757D+01  0.318348D+00
      3  -0.820342D+00  0.105252D+00 -0.101757D+01  0.663089D+00 -0.990551D+00
                71            72            73            74            75 
      1   0.318348D+00 -0.990551D+00 -0.684453D+01  0.233812D+01 -0.250117D+00
      2  -0.178448D+01  0.100884D+01  0.233812D+01  0.921126D+00 -0.536342D+00
      3   0.100884D+01 -0.709878D+01 -0.250117D+00 -0.536342D+00  0.833671D+00
                76            77            78            79            80 
      1   0.517142D+01  0.610302D+00 -0.616200D+00 -0.260674D+01 -0.621373D+00
      2   0.610302D+00  0.358897D+01 -0.921941D+00 -0.621373D+00 -0.135689D+01
      3  -0.616200D+00 -0.921941D+00  0.686881D+00 -0.722966D+00  0.381457D+00
                81            82            83            84            85 
      1  -0.722966D+00 -0.842843D-02  0.206093D-01  0.109347D+01 -0.159460D+00
      2   0.381457D+00  0.206093D-01  0.596668D+00 -0.267299D-01  0.555387D+00
      3   0.234447D-01  0.109347D+01 -0.267299D-01  0.848721D+00 -0.296480D-01
                86            87            88            89            90 
      1   0.555387D+00 -0.296480D-01  0.192575D+01  0.105072D+00  0.869798D-01
      2  -0.489982D+00  0.868165D+00  0.105072D+00  0.149622D+01 -0.651697D+00
      3   0.868165D+00 -0.928276D+00  0.869798D-01 -0.651697D+00  0.751322D+01
                91            92            93            94            95 
      1   0.375586D+00 -0.131347D+00  0.110371D+01  0.233816D-01  0.868681D+00
      2  -0.131347D+00  0.910075D+00  0.337706D-01  0.868681D+00 -0.293212D+00
      3   0.110371D+01  0.337706D-01  0.708473D+00  0.539788D-01  0.817303D+00
                96            97            98            99           100 
      1   0.539788D-01  0.208488D+01 -0.167780D+00  0.114552D+01  0.393362D+01
      2   0.817303D+00 -0.167780D+00  0.165723D+01 -0.250010D-01  0.195253D+01
      3  -0.144676D+00  0.114552D+01 -0.250010D-01  0.665540D+01 -0.116681D+01
               101           102           103           104           105 
      1   0.195253D+01 -0.116681D+01  0.933659D+00  0.352316D+01 -0.111620D+00
      2   0.440352D+01 -0.136734D+00  0.352316D+01 -0.745672D+00 -0.181024D+01
      3  -0.136734D+00  0.679608D+00 -0.111620D+00 -0.181024D+01 -0.896811D+00
               106           107           108           109           110 
      1  -0.171291D+01 -0.711634D+00  0.138836D+01  0.285446D+01 -0.217640D+01
      2  -0.711634D+00 -0.369870D+01  0.695796D+00 -0.217640D+01 -0.233460D+01
      3   0.138836D+01  0.695796D+00 -0.555049D+00  0.152989D+01 -0.223695D+00
               111           112           113           114           115 
      1   0.152989D+01 -0.183412D+01 -0.408851D+01 -0.645743D+00  0.286546D+01
      2  -0.223695D+00 -0.408851D+01  0.984687D+00  0.369170D+01 -0.833581D+00
      3  -0.743246D+00 -0.645743D+00  0.369170D+01  0.210068D+01 -0.316890D+01
               116           117           118           119           120 
      1  -0.833581D+00 -0.316890D+01  0.361278D+00 -0.145040D+00 -0.136912D+01
      2   0.368731D+01  0.268429D+01 -0.145040D+00 -0.432984D+00  0.678770D-01
      3   0.268429D+01 -0.864749D+00 -0.136912D+01  0.678770D-01 -0.279920D+00
               121           122           123           124           125 
      1  -0.103124D+00 -0.383056D+00 -0.210625D+00 -0.196578D+01 -0.248645D+00
      2  -0.383056D+00  0.619929D+00 -0.102711D+01 -0.248645D+00 -0.136487D+01
      3  -0.210625D+00 -0.102711D+01  0.588639D+00  0.492563D+00  0.369464D+00
               126           127           128           129           130 
      1   0.492563D+00 -0.258999D+01 -0.190499D+01  0.906667D+00 -0.148357D+01
      2   0.369464D+00 -0.190499D+01 -0.349360D+01 -0.155163D+00 -0.251738D+01
      3  -0.836711D+01  0.906667D+00 -0.155163D+00 -0.400928D+00 -0.596305D-01
               131           132           133           134           135 
      1  -0.251738D+01 -0.596305D-01  0.194965D+01  0.678546D+00 -0.108832D+01
      2   0.196498D+01  0.247412D+01  0.678546D+00  0.528394D+01 -0.735811D-01
      3   0.247412D+01  0.114841D+01 -0.108832D+01 -0.735811D-01  0.108431D+01
               136           137           138           139           140 
      1  -0.500176D+00 -0.729491D-01 -0.135906D+01  0.224046D-01 -0.599672D+00
      2  -0.729491D-01 -0.358646D+00 -0.281318D+00 -0.599672D+00  0.143142D+00
      3  -0.135906D+01 -0.281318D+00 -0.930677D+00  0.812768D-01 -0.887656D+00
               141           142           143           144           145 
      1   0.812768D-01 -0.237889D+01 -0.529538D+00 -0.146662D+01 -0.742984D+01
      2  -0.887656D+00 -0.529538D+00 -0.151395D+01 -0.437998D+00  0.272984D+01
      3   0.528784D+00 -0.146662D+01 -0.437998D+00 -0.771360D+01  0.641398D+00
               146           147           148           149           150 
      1   0.272984D+01  0.641398D+00  0.138630D+01 -0.132494D+01 -0.133389D+00
      2  -0.303102D+01 -0.567136D+00 -0.132494D+01  0.123059D+01 -0.121350D-01
      3  -0.567136D+00 -0.121839D+01 -0.133389D+00 -0.121350D-01  0.428737D+00
               151           152           153           154           155 
      1  -0.143355D+00  0.268894D-02 -0.700786D+00 -0.495946D+01 -0.224433D+01
      2   0.268894D-02 -0.185745D+00  0.527848D+00 -0.224433D+01 -0.209968D+01
      3  -0.700786D+00  0.527848D+00  0.451011D+00  0.700236D+00  0.437877D+00
               156           157           158           159           160 
      1   0.700236D+00 -0.435461D+01 -0.255714D+01  0.616833D+00  0.156960D+01
      2   0.437877D+00 -0.255714D+01 -0.321796D+01  0.680959D+00  0.817416D+00
      3  -0.105025D+01  0.616833D+00  0.680959D+00 -0.900405D+00 -0.117364D+01
               161           162           163           164           165 
      1   0.817416D+00 -0.117364D+01 -0.629444D+00  0.725187D+00  0.334571D+00
      2   0.100631D+01 -0.584447D+00  0.725187D+00 -0.183516D+01 -0.907078D-01
      3  -0.584447D+00  0.542371D+00  0.334571D+00 -0.907078D-01 -0.288431D+00
               166           167           168           169           170 
      1   0.148628D+01 -0.419744D-01 -0.184258D+00  0.618463D+00 -0.238227D-01
      2  -0.419744D-01  0.792003D+01  0.734702D+00 -0.238227D-01  0.197355D+01
      3  -0.184258D+00  0.734702D+00  0.133632D+01 -0.461058D-01  0.107997D+01
               171           172           173           174           175 
      1  -0.461058D-01  0.355073D+01  0.747710D+00  0.159912D+01  0.164273D+01
      2   0.107997D+01  0.747710D+00  0.196048D+01 -0.107838D+01  0.191845D+01
      3   0.246924D+00  0.159912D+01 -0.107838D+01  0.231746D+01 -0.552520D+00
               176           177           178           179           180 
      1   0.191845D+01 -0.552520D+00  0.140239D+01 -0.734678D+00  0.346001D+01
      2   0.161760D+01  0.840584D-01 -0.734678D+00 -0.494995D+00 -0.941574D+00
      3   0.840584D-01  0.118975D+01  0.346001D+01 -0.941574D+00  0.377680D+01
               181           182           183           184           185 
      1   0.421052D+01  0.228895D+01 -0.109512D+01  0.401905D+01  0.231334D+01
      2   0.228895D+01  0.186049D+01 -0.362665D+00  0.231334D+01  0.343935D+01
      3  -0.109512D+01 -0.362665D+00  0.106452D+01 -0.601246D+00 -0.131683D+01
               186           187           188           189           190 
      1  -0.601246D+00 -0.147280D+01 -0.382243D+00  0.137417D+01  0.207400D+01
      2  -0.131683D+01 -0.382243D+00 -0.105638D+01  0.737120D+00 -0.144813D+01
      3   0.110253D+01  0.137417D+01  0.737120D+00 -0.762391D+00 -0.152875D+01
               191           192           193           194           195 
      1  -0.144813D+01 -0.152875D+01 -0.290435D+01  0.312613D+01  0.140748D+01
      2   0.146919D+01  0.663444D+00  0.312613D+01 -0.510751D+01 -0.281647D+01
      3   0.663444D+00  0.102655D+01  0.140748D+01 -0.281647D+01 -0.306889D+01
               196           197           198           199           200 
      1  -0.230488D+01  0.137183D+01  0.189900D+01 -0.157037D+00 -0.795196D+00
      2   0.137183D+01 -0.252129D+01 -0.247518D+01 -0.795196D+00  0.181979D+01
      3   0.189900D+01 -0.247518D+01 -0.342037D+01 -0.334903D+00  0.368333D+00
               201           202           203           204           205 
      1  -0.334903D+00 -0.116273D+01 -0.184119D+00  0.140183D+00 -0.676566D+00
      2   0.368333D+00 -0.184119D+00 -0.937327D+01 -0.178125D+01 -0.863458D-01
      3   0.258888D+00  0.140183D+00 -0.178125D+01 -0.159833D+01 -0.840449D-02
               206           207           208           209           210 
      1  -0.863458D-01 -0.840449D-02 -0.179510D+01 -0.923000D+00  0.267639D+00
      2  -0.407395D+01 -0.190504D+01 -0.923000D+00 -0.151100D+01  0.864116D+00
      3  -0.190504D+01 -0.104802D+01  0.267639D+00  0.864116D+00 -0.148640D+01
               211           212           213           214           215 
      1  -0.198729D+01 -0.744339D+00  0.291353D+00  0.823187D+00  0.343449D+00
      2  -0.744339D+00 -0.304976D+01  0.157460D+01  0.343449D+00  0.141868D+01
      3   0.291353D+00  0.157460D+01 -0.197044D+01 -0.322342D+00 -0.100366D+01
               216 
      1  -0.322342D+00
      2  -0.100366D+01
      3   0.206589D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.111090D+00  0.115138D+00 -0.230402D+01 -0.765278D+00  0.881409D+00
      2  -0.235934D+00 -0.950227D-01 -0.378005D+00  0.476434D+00  0.184124D+01
      3  -0.242401D+01 -0.870532D-01 -0.296100D+00  0.488072D+01  0.163412D+01
                 6             7             8             9            10 
      1   0.126099D+01 -0.131948D+01  0.435366D+01 -0.715670D+01 -0.475867D+00
      2   0.122208D+01 -0.389754D+01  0.504287D+00 -0.514471D+01 -0.200260D+01
      3  -0.537761D+00  0.912153D-01 -0.190527D+01  0.352235D+00 -0.220948D+01
                11            12            13            14            15 
      1  -0.122633D+01 -0.542503D+00  0.198608D+00  0.272482D+00 -0.167779D+01
      2  -0.772776D+00  0.271242D+01 -0.121184D+00 -0.167558D+01 -0.289474D+01
      3  -0.557362D+01  0.105136D-01  0.380990D-01  0.455423D+00  0.186544D+01
                16            17            18            19            20 
      1  -0.102872D+01  0.400882D+01 -0.129771D+01 -0.127391D+00 -0.341527D+00
      2  -0.115850D+01 -0.162031D+01  0.103803D+02 -0.318739D+00  0.889903D+00
      3  -0.529090D+00  0.257659D+01  0.215923D+01  0.322985D+01 -0.122837D+01
                21            22            23            24            25 
      1   0.268727D+01 -0.962850D-01 -0.210269D+01 -0.192202D+01  0.236801D+01
      2   0.951332D+00 -0.838639D+00  0.819629D+00 -0.380329D+00 -0.469124D+01
      3  -0.271214D+00  0.438736D+01 -0.486074D+01 -0.234411D+01  0.159124D+00
                26            27            28            29            30 
      1   0.196252D+01  0.609908D+01 -0.220537D+01 -0.918998D+00  0.103293D+01
      2   0.557701D+00 -0.324021D+01 -0.651332D+01  0.352526D+01 -0.102501D+01
      3  -0.116783D+01 -0.268051D+01 -0.656109D+01 -0.861483D+01 -0.582820D+00
                31            32            33            34            35 
      1  -0.931873D+00  0.442668D+00  0.212876D+01  0.189425D+00  0.410578D+01
      2   0.239496D+01 -0.124770D+01 -0.392014D+01 -0.490902D+01  0.134441D+00
      3  -0.543641D+01  0.127581D+01  0.349075D+01  0.240917D+00  0.307490D+01
                36            37            38            39            40 
      1  -0.536107D+00  0.152435D+01  0.206104D+00 -0.177740D+01  0.144766D+01
      2   0.111604D+02  0.349500D+01 -0.727284D+00  0.942877D+01 -0.194293D+01
      3   0.185180D+01 -0.780982D+01 -0.404267D+01  0.608187D-01  0.149082D+02
                41            42            43            44            45 
      1   0.243467D+01 -0.577028D+01  0.188149D+01  0.222722D+01  0.724464D+00
      2  -0.121960D+01  0.184305D+01 -0.480526D+01 -0.122397D+01  0.134047D+00
      3   0.542622D+01 -0.364460D+00 -0.271043D+01 -0.139105D+01 -0.323568D+00
                46            47            48            49            50 
      1   0.541629D+00 -0.101228D+01  0.246963D+01 -0.858164D+00 -0.299167D+01
      2  -0.290793D+01 -0.118998D+01 -0.601158D+01  0.192704D-01  0.268512D+01
      3   0.620865D+01  0.386254D+01 -0.111839D+00  0.256067D+01 -0.201693D+01
                51            52            53            54            55 
      1  -0.707653D+00  0.446341D+00  0.130374D+01  0.808919D+01 -0.873981D+00
      2   0.189749D+01 -0.631037D+01 -0.546460D+00 -0.909465D+01 -0.559695D+01
      3  -0.209876D+01  0.972492D+00 -0.142328D+01 -0.328611D+01  0.167748D+02
                56            57            58            59            60 
      1   0.352066D+00 -0.478443D+00  0.185916D+01 -0.226775D+01 -0.632050D+01
      2   0.232713D+01  0.176066D+01  0.472008D+00 -0.265406D+01 -0.174722D+01
      3  -0.310873D+01 -0.203533D+00  0.550255D+01  0.679646D+01  0.890799D+00
                61            62            63            64            65 
      1   0.495603D+00  0.806571D+00 -0.286663D+01  0.115483D+01  0.327016D+00
      2  -0.345570D+01 -0.147400D+01 -0.140899D+01  0.906639D+00 -0.409866D+00
      3   0.304769D+01  0.279533D+01  0.107913D+01 -0.951673D-01 -0.173935D+01
                66            67            68            69            70 
      1   0.737382D+00  0.313826D-01  0.124695D+01 -0.121740D+01  0.822879D+00
      2   0.183214D+01  0.373749D-01  0.457091D+00 -0.222069D+00 -0.308426D+01
      3  -0.100613D+01  0.763150D+00 -0.221140D+00 -0.775753D+00 -0.258230D+01
                71            72            73            74            75 
      1   0.324008D+01  0.882895D+01  0.593528D+00 -0.121990D+00  0.584534D+00
      2  -0.426700D+00  0.625347D+01  0.447842D+01  0.215363D+01  0.455195D+01
      3  -0.169358D+01 -0.123801D+00  0.984450D+01 -0.225239D+01 -0.232291D+01
                76            77            78            79            80 
      1  -0.114973D+01  0.104993D+01 -0.177113D+01  0.867730D+00  0.264064D+01
      2   0.182450D+01  0.270943D+01 -0.334046D+01 -0.217303D+01 -0.166203D+01
      3   0.787404D+01  0.160359D+02 -0.275847D+01 -0.220127D+01 -0.532110D+01
                81            82            83            84            85 
      1  -0.183411D-01  0.201468D+00  0.844054D+00  0.221223D+00  0.525283D+00
      2   0.215551D+01 -0.291899D+01  0.114312D+00 -0.114436D+01  0.541196D+00
      3   0.130814D+01  0.120574D-01 -0.271114D-01 -0.243112D+00  0.176886D+01
                86            87            88            89            90 
      1  -0.325592D+00 -0.137907D+01  0.169245D+00  0.354099D+01  0.959449D+00
      2  -0.151836D+01  0.135257D+01 -0.454695D+01  0.806564D+00 -0.112047D+02
      3  -0.666460D+00  0.126120D+01 -0.442985D+00  0.210567D+01 -0.542233D+00
                91            92            93            94            95 
      1  -0.159542D+01  0.672271D+00 -0.966317D+00  0.292830D+00 -0.130160D+01
      2   0.310237D+00  0.446267D+00  0.596516D+00  0.826087D+00  0.145610D+00
      3   0.945771D+00 -0.179068D+01  0.120637D+01  0.364038D+00  0.846158D+00
                96            97            98            99           100 
      1  -0.171099D+00 -0.176152D+01  0.379354D+01 -0.731516D+01  0.213369D+01
      2   0.114080D+00 -0.346770D+01  0.301150D+00  0.389640D+01 -0.187669D+00
      3  -0.525812D+00  0.242178D+01 -0.174693D+01  0.121728D+01  0.806028D+01
               101           102           103           104           105 
      1  -0.184343D+01 -0.365971D+01 -0.617010D+00  0.713865D+01 -0.151836D+01
      2  -0.411456D+00  0.439755D+01  0.868051D+00 -0.123220D+01  0.112458D+01
      3  -0.968998D+01 -0.221577D+01 -0.766806D-02  0.996513D+01  0.284288D+01
               106           107           108           109           110 
      1  -0.237734D+01  0.480916D+01  0.331742D+01  0.306785D+01  0.117014D+01
      2  -0.124627D+01  0.629032D+00 -0.133783D+01  0.927730D+01 -0.342247D+01
      3  -0.465792D+01  0.497456D+01  0.194650D+01  0.648374D+01  0.738589D+01
               111           112           113           114           115 
      1  -0.962538D+00  0.133812D+01  0.156610D+01 -0.328457D+01 -0.130102D+01
      2   0.823452D+00 -0.400140D+01  0.847347D+01  0.643794D+01 -0.822562D+01
      3  -0.202215D+00  0.173508D+02 -0.561017D+00 -0.961905D+01  0.656230D+00
               116           117           118           119           120 
      1  -0.218914D+01 -0.243530D+01 -0.329113D-01  0.970760D+00  0.377088D+00
      2   0.696771D+01 -0.495461D+01 -0.247742D+01 -0.211504D+00 -0.163657D+00
      3  -0.949799D+01 -0.591046D+01  0.240369D+00  0.480963D-01  0.262850D+00
               121           122           123           124           125 
      1   0.255050D+00 -0.145166D+01 -0.153713D+00  0.192654D+00  0.455588D+01
      2  -0.220073D-01 -0.199925D+01  0.855923D+00 -0.545954D+01  0.430320D+00
      3   0.223839D+01 -0.159426D+01  0.158479D+01  0.586399D+00  0.223620D+01
               126           127           128           129           130 
      1  -0.100711D+01  0.165240D+01 -0.226909D+00 -0.330244D+01  0.933074D+00
      2  -0.120004D+02 -0.237974D+01 -0.281059D+00  0.440250D+01  0.359619D+00
      3  -0.160415D+01  0.544230D+01 -0.719644D+01 -0.244087D+01  0.383293D+01
               131           132           133           134           135 
      1   0.110823D+02 -0.218092D+01 -0.167620D+01  0.553241D+01  0.542885D+01
      2  -0.431923D+01  0.482344D+00 -0.426852D+00  0.138917D+00 -0.253295D+01
      3   0.933408D+01  0.440347D+01 -0.540377D+01  0.815613D+01  0.293581D+01
               136           137           138           139           140 
      1  -0.182714D+01  0.163693D+00 -0.102245D+01  0.525884D+00 -0.170190D+01
      2   0.108355D+01  0.591077D+00  0.159735D+01  0.710457D+00  0.710163D+00
      3   0.101816D+01 -0.173447D+01  0.167169D+01  0.560015D-02  0.163979D+01
               141           142           143           144           145 
      1   0.517312D+00 -0.851234D+00  0.491503D+01 -0.865618D+01 -0.275182D+00
      2  -0.113953D+01 -0.334350D+01 -0.141579D+00  0.925955D+01  0.465643D+01
      3  -0.984970D+00  0.317326D+01 -0.169282D+01  0.241148D+01 -0.185904D+02
               146           147           148           149           150 
      1  -0.296920D+00  0.296739D+01 -0.173180D+00  0.195100D+00 -0.814407D+00
      2  -0.107047D+01  0.277118D+01 -0.679383D+00  0.818268D+00 -0.734034D+00
      3  -0.168034D-01  0.811893D+00  0.150534D+01 -0.266040D+01 -0.649055D+00
               151           152           153           154           155 
      1   0.146656D+01 -0.330882D+00 -0.776979D+00 -0.636815D-02  0.184517D-01
      2   0.505051D+00 -0.793989D+00 -0.324835D+00 -0.222370D+01 -0.156146D+01
      3  -0.850296D+00 -0.537165D+00 -0.750766D+00 -0.756813D+01 -0.806698D+01
               156           157           158           159           160 
      1  -0.749754D+00  0.373822D+00 -0.809511D+00 -0.974962D+00 -0.281532D+00
      2   0.368044D+01 -0.220704D+01 -0.244582D+01  0.369759D+01  0.248239D+01
      3   0.170854D+01 -0.763124D+01 -0.136446D+02  0.244425D+01  0.301258D+01
               161           162           163           164           165 
      1   0.785683D+00  0.358652D+00 -0.161576D+01  0.184757D+01  0.155833D+01
      2   0.183746D+01 -0.150503D+01  0.217324D+00  0.604396D-01 -0.526951D+00
      3   0.396355D+01 -0.167096D+01 -0.489370D+01  0.500834D+01  0.169889D+01
               166           167           168           169           170 
      1   0.103507D+01 -0.672789D+01 -0.504427D+01  0.471810D+00 -0.310957D+01
      2  -0.553746D-01  0.741985D+00  0.118562D+01 -0.106534D+01  0.114888D+01
      3   0.609374D+01 -0.136884D+02 -0.216220D+01  0.280377D+01 -0.390676D+01
               171           172           173           174           175 
      1  -0.154085D+01  0.242124D+01  0.286460D+01  0.172087D+01  0.140419D+01
      2   0.357009D+00 -0.529075D+00 -0.567600D+01  0.119005D+02 -0.420863D+01
      3  -0.182054D+01 -0.755711D+01 -0.994126D+01  0.274134D+01 -0.625552D+01
               176           177           178           179           180 
      1   0.354484D+01 -0.362796D+01  0.600963D+00  0.442329D+01  0.503993D+01
      2  -0.222843D+01  0.369681D+01  0.470003D+01 -0.617945D+00  0.131175D+02
      3  -0.566901D+01  0.301459D+00  0.157412D+01  0.803354D+00  0.136935D-01
               181           182           183           184           185 
      1  -0.201156D+01 -0.152491D+01 -0.390568D+00 -0.169939D+01 -0.315928D+01
      2  -0.804188D+00  0.110962D+00  0.384149D+01  0.109246D+01 -0.271120D+01
      3  -0.823548D+01 -0.796415D+01  0.171352D+01 -0.663952D+01 -0.140390D+02
               186           187           188           189           190 
      1  -0.764566D-01  0.363443D+00  0.220734D+01 -0.560817D+00  0.118265D+00
      2   0.407939D+01  0.183517D+01  0.199946D+01 -0.125858D+01 -0.297584D+01
      3   0.434784D+01  0.149209D+01  0.379840D+01 -0.274780D+01  0.232313D+01
               191           192           193           194           195 
      1  -0.107005D+01  0.874245D+00 -0.127560D+01  0.299059D+01 -0.250638D+01
      2   0.127236D+01  0.285235D+01  0.977677D+00 -0.596790D+01 -0.914416D+01
      3  -0.464047D+01 -0.107432D+01 -0.423691D+01  0.132018D+02  0.699496D+01
               196           197           198           199           200 
      1   0.418486D+00  0.151581D+01 -0.167246D+01 -0.443527D+00  0.173213D+01
      2   0.196621D+01 -0.621903D+01 -0.899209D+01  0.768581D+00 -0.230726D+00
      3  -0.139469D+01  0.667012D+01  0.591022D+01 -0.226235D+01  0.402199D+01
               201           202           203           204           205 
      1   0.155759D+01  0.411424D+00 -0.712493D+01 -0.593327D+01  0.226464D+00
      2  -0.178339D+00 -0.672756D+00  0.257305D+01  0.207053D+01 -0.979674D+00
      3   0.144159D+01  0.429318D+01 -0.153688D+02 -0.368645D+01  0.235417D+01
               206           207           208           209           210 
      1  -0.545312D+01 -0.330999D+01 -0.202987D+01 -0.270065D+01 -0.632337D+00
      2   0.257292D+01  0.129771D+01  0.597910D+01  0.463510D+01 -0.519890D+01
      3  -0.680112D+01 -0.331969D+01  0.703019D+01  0.577896D+01 -0.242458D+01
               211           212           213           214           215 
      1  -0.216554D+01 -0.294752D+01 -0.328633D+00  0.208884D+00  0.196409D+01
      2   0.414927D+01  0.724427D+01 -0.653734D+01 -0.328909D+01 -0.389470D+01
      3   0.688623D+01  0.897172D+01 -0.481980D+01 -0.181309D+01 -0.406991D+01
               216 
      1   0.371763D+00
      2   0.588642D+01
      3   0.359506D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.542865D+01 -0.613727D+01 -0.730881D+00 -0.395085D+01  0.495092D+01
      2  -0.215762D+01  0.920268D+01  0.383836D+00  0.645060D+01 -0.129882D+02
      3  -0.327103D+01 -0.306541D+01  0.347045D+00 -0.249975D+01  0.803726D+01
      4  -0.242522D+01 -0.558808D+01 -0.811773D-01 -0.974261D+01  0.787169D+01
      5   0.130338D+01 -0.153937D+01 -0.358444D+01 -0.339244D+01  0.185807D+01
      6   0.126051D+01  0.223717D+01  0.538023D+01  0.286534D+01 -0.728631D+01
                 6             7             8             9            10 
      1   0.362444D+01  0.119330D+01  0.430175D+01  0.526057D+01 -0.275655D+02
      2  -0.212435D+01  0.324502D+01 -0.110071D+02  0.311691D+01  0.146378D+02
      3  -0.150009D+01 -0.443832D+01  0.670537D+01 -0.837748D+01  0.129277D+02
      4   0.261308D+01 -0.203008D+01  0.671855D+01  0.545945D+01  0.373783D+01
      5   0.309812D+01 -0.306110D+01  0.347284D+01 -0.162788D+02 -0.103580D+01
      6  -0.762806D+01  0.469977D+01 -0.489858D+01  0.199385D+02 -0.487258D+00
                11            12            13            14            15 
      1  -0.104476D+01  0.148341D+01  0.307232D+01  0.869174D+01  0.170046D+00
      2   0.301103D+01  0.158650D+01 -0.154459D+01 -0.331308D+01 -0.882427D+00
      3  -0.196626D+01 -0.306991D+01 -0.152773D+01 -0.537866D+01  0.712382D+00
      4   0.636503D+00  0.309198D-01  0.791471D+01  0.644019D+00 -0.242599D+01
      5  -0.315761D+00  0.800030D+00  0.940729D+00 -0.178138D+01 -0.529402D+01
      6   0.494598D+00  0.208944D+01 -0.918968D+00 -0.336431D+00 -0.299275D+00
                16            17            18            19            20 
      1  -0.517519D+01  0.173837D+01  0.129856D+02 -0.200703D+01  0.505110D+01
      2   0.316276D+01 -0.474551D+01  0.180072D+01 -0.103649D+00 -0.100235D+02
      3   0.201243D+01  0.300714D+01 -0.147864D+02  0.211068D+01  0.497241D+01
      4   0.213653D+01 -0.305431D+01 -0.284504D+01 -0.132656D+01 -0.793732D+01
      5   0.667550D+01 -0.310532D+01  0.222281D+02  0.136152D+01  0.293671D+01
      6   0.727240D+00  0.334006D+00  0.525412D+01 -0.357891D-01  0.380733D+01
                21            22            23            24            25 
      1  -0.173799D+01  0.243886D+01 -0.259027D+01 -0.321651D+01  0.158190D+01
      2   0.423254D+00 -0.718777D+01 -0.762866D+00  0.334083D+01  0.330009D+01
      3   0.131473D+01  0.474891D+01  0.335314D+01 -0.124326D+00 -0.488199D+01
      4   0.133084D+01 -0.115580D+02 -0.619181D+01  0.190930D+01  0.368205D+01
      5  -0.415974D+01  0.141263D+01  0.365078D+01 -0.196173D+00 -0.184825D+01
      6  -0.562293D+01  0.289436D+01  0.482723D+01 -0.214913D+01 -0.367477D+01
                26            27            28            29            30 
      1  -0.148458D+01 -0.196817D+01 -0.157558D+02  0.763316D+01 -0.108999D+01
      2   0.568459D+01  0.558714D+01  0.728848D+01 -0.842042D+01  0.171473D+01
      3  -0.420001D+01 -0.361897D+01  0.846732D+01  0.787260D+00 -0.624741D+00
      4   0.642541D+01 -0.102739D+01  0.181133D+00 -0.211668D+01 -0.374385D+00
      5   0.696917D+00 -0.991095D+01 -0.223219D+01 -0.123132D+01 -0.204392D+01
      6   0.128531D+01 -0.155435D+02 -0.230514D+00 -0.238852D+01 -0.658918D+00
                31            32            33            34            35 
      1   0.454378D+01  0.111325D+02 -0.345175D+01 -0.616878D+01 -0.160774D+00
      2  -0.327723D+01 -0.116308D+02 -0.378767D+01  0.327676D+01 -0.729571D+00
      3  -0.126655D+01  0.498309D+00  0.723942D+01  0.289203D+01  0.890345D+00
      4  -0.257274D+01 -0.824390D+01 -0.516611D+01  0.442946D+01 -0.225369D+01
      5   0.159421D+01 -0.761730D+01 -0.791922D+01  0.324001D+00 -0.237832D+01
      6  -0.424943D+01  0.337144D+01 -0.914629D+00 -0.136921D+01  0.115918D+01
                36            37            38            39            40 
      1   0.166294D+02  0.116429D+02 -0.262556D+01  0.130928D+01 -0.136471D+01
      2   0.124770D+02 -0.683685D+01  0.226259D+01 -0.159668D+01  0.210660D+01
      3  -0.291064D+02 -0.480603D+01  0.362972D+00  0.287402D+00 -0.741891D+00
      4  -0.297810D+01 -0.916238D+01  0.132722D+02 -0.638785D-01  0.127089D+02
      5   0.184154D+02  0.176553D+01  0.582889D+00  0.155581D+02 -0.125386D+01
      6   0.343096D+00  0.106566D+01  0.674243D+00  0.460483D+01  0.124105D+01
                41            42            43            44            45 
      1  -0.125929D+02  0.337900D+01  0.319467D+01  0.212475D+01 -0.483524D+01
      2   0.182449D+02  0.139689D+01 -0.406679D+01 -0.309214D+01 -0.306569D+01
      3  -0.565198D+01 -0.477590D+01  0.872112D+00  0.967394D+00  0.790093D+01
      4  -0.431495D+00  0.766623D+00 -0.534734D+01 -0.732201D+00 -0.178629D+01
      5   0.191408D+01  0.263853D+01  0.457875D+01 -0.148160D+01  0.152999D+01
      6  -0.451624D+00  0.567871D+01 -0.143846D+01  0.474929D+01  0.372258D+00
                46            47            48            49            50 
      1  -0.108100D+02  0.579277D+01  0.230646D+01 -0.218145D+01 -0.368414D+01
      2   0.899176D+01 -0.739399D+01  0.144590D+01 -0.509802D+01 -0.312449D+01
      3   0.181826D+01  0.160121D+01 -0.375236D+01  0.727948D+01  0.680863D+01
      4   0.661162D+01 -0.135061D+02 -0.151064D+01 -0.149179D+02 -0.863063D+01
      5   0.144333D+01 -0.269909D+00 -0.150196D+02  0.179795D+01  0.197227D+01
      6  -0.355847D+00  0.127220D+01 -0.843521D+01  0.267851D+00  0.542745D+01
                51            52            53            54            55 
      1  -0.449478D+01  0.374452D+01 -0.394845D+01  0.463011D+01 -0.145269D+02
      2  -0.586114D+00  0.352859D+01  0.738076D+01  0.152119D+02  0.606001D+01
      3   0.508089D+01 -0.727311D+01 -0.343230D+01 -0.198420D+02  0.846691D+01
      4   0.259433D+01  0.260541D+01  0.581253D+01 -0.298738D+00  0.221355D+02
      5   0.288499D+01 -0.600946D+01  0.842576D+00 -0.199883D+02  0.141179D+01
      6  -0.162151D+01 -0.358100D+01  0.174274D+01 -0.191901D+02  0.229387D+01
                56            57            58            59            60 
      1   0.296197D+01 -0.682913D+00  0.299583D+01 -0.245228D+02 -0.766385D+01
      2  -0.120850D+01  0.144685D+01 -0.590954D+01  0.407840D+02  0.583878D+01
      3  -0.175347D+01 -0.763932D+00  0.291371D+01 -0.162612D+02  0.182508D+01
      4   0.127292D+01  0.851980D+00  0.105095D+02 -0.202096D+02 -0.517982D+01
      5  -0.378641D+00  0.359834D+01  0.213551D+01 -0.378417D+01 -0.231321D+01
      6  -0.956589D-01  0.437536D+00 -0.277674D+01  0.129847D+02  0.123253D+02
                61            62            63            64            65 
      1  -0.928976D+00 -0.962584D+01 -0.862793D+01  0.121547D+01  0.695467D+00
      2  -0.144486D+01  0.131422D+02  0.351539D+01 -0.311455D+01 -0.152414D+01
      3   0.237384D+01 -0.351633D+01  0.511254D+01  0.189908D+01  0.828668D+00
      4   0.673874D+01 -0.945475D+01 -0.535430D+01 -0.142271D+01  0.360696D+01
      5   0.532285D+01 -0.517838D+01 -0.338595D+01  0.418661D+01 -0.123292D+01
      6  -0.352239D+01  0.150904D+02  0.785754D+01 -0.347618D+01  0.381778D+00
                66            67            68            69            70 
      1   0.199777D+01  0.898541D+00 -0.359551D+01  0.285255D+01  0.145310D+01
      2  -0.246953D+01 -0.159064D+01  0.285582D+01 -0.285464D+01 -0.271208D+01
      3   0.471758D+00  0.692098D+00  0.739686D+00  0.209378D-02  0.125898D+01
      4  -0.310607D+01  0.314836D+01 -0.269069D+01  0.252748D+01 -0.463459D+01
      5   0.811686D+01 -0.204773D+00  0.248616D+01 -0.129709D+01  0.636011D+01
      6  -0.209505D+01  0.105886D+01 -0.418213D+01  0.753071D+01 -0.344725D+01
                71            72            73            74            75 
      1   0.428423D+01 -0.118402D+02  0.472243D+02 -0.147507D+02  0.310936D+01
      2  -0.358353D+01 -0.110580D+02 -0.282787D+02  0.725249D+01 -0.199591D+01
      3  -0.700700D+00  0.228982D+02 -0.189456D+02  0.749819D+01 -0.111346D+01
      4   0.407626D+01 -0.381270D+01 -0.179293D+02  0.195291D+01  0.301740D+01
      5  -0.257386D+01  0.175065D+02  0.535342D+01  0.399349D+01  0.844237D+01
      6   0.688745D+01 -0.222468D+02  0.586642D+00  0.226702D+00 -0.166913D+01
                76            77            78            79            80 
      1  -0.303870D+02 -0.845523D+01  0.351644D+01  0.162065D+02  0.345868D+01
      2   0.165602D+02  0.749993D+01 -0.157315D+01 -0.874708D+01 -0.153997D+01
      3   0.138269D+02  0.955297D+00 -0.194329D+01 -0.745942D+01 -0.191871D+01
      4  -0.308505D+01 -0.208174D+02  0.573283D+01  0.324342D+01  0.740972D+01
      5   0.446551D+01  0.686368D+01 -0.530995D+01  0.928759D+01 -0.329493D+01
      6   0.180983D+01  0.180114D+01  0.356743D+01 -0.101244D+01  0.225443D+01
                81            82            83            84            85 
      1   0.218687D+01  0.812066D-01  0.191309D+00 -0.548481D+01  0.696063D+00
      2  -0.484288D+01 -0.296779D+01  0.984392D-01  0.734693D+00 -0.373047D+00
      3   0.265601D+01  0.288658D+01 -0.289749D+00  0.475012D+01 -0.323016D+00
      4  -0.308331D+01 -0.218764D+00  0.144456D+00 -0.251858D+00  0.238037D+00
      5   0.269451D+01 -0.222887D+01 -0.281472D+00  0.294589D+01 -0.187880D+00
      6   0.435278D+00 -0.733762D+00  0.400227D+00 -0.650352D+00  0.457216D-01
                86            87            88            89            90 
      1  -0.478895D+01  0.165743D+01 -0.716187D+01  0.157080D+01 -0.168080D+02
      2   0.844823D+00 -0.561589D-01  0.329048D+01  0.526444D+00 -0.134305D+02
      3   0.394412D+01 -0.160127D+01  0.387139D+01 -0.209725D+01  0.302385D+02
      4   0.137650D+01 -0.220676D+01 -0.892460D+00 -0.383226D+01  0.163767D+01
      5  -0.242273D+01  0.229917D+01  0.380488D+01  0.209725D+01 -0.208072D+02
      6  -0.160956D+01  0.739474D+01 -0.177059D+00  0.413275D+01 -0.489774D+01
                91            92            93            94            95 
      1   0.170264D+01 -0.159559D+01  0.191111D+01 -0.132763D+01 -0.756897D+00
      2  -0.318511D+01  0.251166D+01 -0.141583D+01  0.203194D+01 -0.104653D+01
      3   0.148247D+01 -0.916077D+00 -0.495284D+00 -0.704314D+00  0.180343D+01
      4   0.642315D+00  0.279457D+01  0.135106D+01  0.317939D+01  0.687703D+00
      5   0.340184D+01 -0.356142D+00  0.563487D+01 -0.373570D-01  0.197227D+01
      6   0.216174D+01 -0.215207D-01  0.169926D+01  0.509361D+00  0.148677D+01
                96            97            98            99           100 
      1  -0.118398D+01  0.160408D+01 -0.289870D+01 -0.855145D+01  0.115394D+02
      2   0.187824D+01 -0.347249D+01  0.445820D+01 -0.122796D+02 -0.206016D+01
      3  -0.694258D+00  0.186841D+01 -0.155950D+01  0.208310D+02 -0.947925D+01
      4   0.232093D+01  0.261458D+01  0.309587D+01  0.100819D+01  0.190176D+02
      5   0.137763D+00  0.560248D+01 -0.232297D+00  0.128263D+02 -0.458802D+01
      6   0.424878D+01  0.231519D+01  0.307345D+01  0.145443D+02 -0.587116D+01
               101           102           103           104           105 
      1  -0.899604D+01 -0.479667D+00 -0.384695D+01  0.872287D+01  0.603819D+01
      2   0.204224D+02  0.242610D+01  0.121099D+02 -0.857872D+01 -0.867082D+01
      3  -0.114264D+02 -0.194643D+01 -0.826292D+01 -0.144159D+00  0.263263D+01
      4   0.217177D+02 -0.411165D+01  0.187764D+02  0.124183D+02 -0.436066D+01
      5  -0.144263D+01  0.854308D+01 -0.103906D+01 -0.720405D+01  0.134972D+01
      6  -0.342542D+01  0.633450D+01 -0.269044D+01 -0.108343D+02  0.666515D+01
               106           107           108           109           110 
      1  -0.188190D+01  0.107887D+02 -0.128367D+01  0.119125D+02 -0.142851D+02
      2   0.297033D+00 -0.172361D+02 -0.214176D+01 -0.817312D+01  0.106690D+02
      3   0.158487D+01  0.644739D+01  0.342543D+01 -0.373936D+01  0.361613D+01
      4  -0.782226D+01 -0.106409D+02  0.596018D+01 -0.125072D+02 -0.136301D+02
      5   0.790839D+01  0.334502D+01 -0.367373D+01  0.709427D+01  0.958509D-01
      6   0.750056D+01  0.894037D+01 -0.734198D+01 -0.159576D+01  0.534875D+01
               111           112           113           114           115 
      1   0.729566D+01 -0.152070D+02 -0.185921D+02  0.282143D+01  0.100531D+02
      2  -0.130037D+01  0.108836D+02  0.673361D+01 -0.600141D+01 -0.355569D+01
      3  -0.599529D+01  0.432337D+01  0.118585D+02  0.317998D+01 -0.649739D+01
      4  -0.188416D+01 -0.240022D+02  0.766932D+01  0.218455D+02 -0.295180D+01
      5  -0.858619D+01 -0.109425D+01  0.249001D+02  0.151209D+02 -0.269713D+02
      6   0.325208D+01  0.926389D+01 -0.911180D+01 -0.100132D+02  0.890110D+01
               116           117           118           119           120 
      1   0.294323D+01 -0.114407D+02  0.113533D+01 -0.132036D+00 -0.456129D+01
      2  -0.281855D+01  0.449004D+01 -0.439264D+01  0.129716D+00  0.108935D+01
      3  -0.124681D+00  0.695065D+01  0.325731D+01  0.232000D-02  0.347193D+01
      4   0.178806D+02  0.176726D+02 -0.203107D+00  0.139345D+01  0.102354D+01
      5   0.173118D+02 -0.469769D+01 -0.361562D+01  0.120938D+00  0.620897D+01
      6  -0.161633D+02 -0.406252D+01  0.514545D+00  0.595229D+00 -0.333325D+00
               121           122           123           124           125 
      1   0.329788D-01 -0.512153D+01  0.722587D+00 -0.409951D+01  0.103381D+01
      2  -0.408831D+00  0.861147D+00  0.173065D+01  0.482856D+01  0.777543D+00
      3   0.375852D+00  0.426038D+01 -0.245323D+01 -0.729049D+00 -0.181135D+01
      4   0.137933D+01  0.153049D+01 -0.194810D+01  0.107345D+01 -0.250580D+01
      5  -0.590761D+00 -0.254008D+01  0.208999D+01  0.710430D+01  0.116384D+01
      6   0.153610D+00 -0.334715D+00  0.749804D+01  0.634378D+00  0.513700D+01
               126           127           128           129           130 
      1  -0.215647D+02  0.105734D+02 -0.713129D+01 -0.268069D+01 -0.644979D+00
      2  -0.188531D+02  0.614042D+00  0.187116D+02  0.374404D+01  0.993309D+01
      3   0.404178D+02 -0.111875D+02 -0.115803D+02 -0.106335D+01 -0.928811D+01
      4   0.153821D+01  0.165039D+02  0.222183D+02 -0.336484D+01  0.191261D+02
      5  -0.205074D+02 -0.270200D+01  0.503375D+00  0.728126D+01 -0.267190D+00
      6   0.231832D+01 -0.380165D+01  0.116552D+01  0.590000D+01  0.356839D+00
               131           132           133           134           135 
      1   0.123957D+02  0.103070D+02 -0.436880D+01  0.165975D+02  0.828964D+00
      2  -0.117309D+02 -0.140270D+02  0.391604D+00 -0.288123D+02 -0.576777D+01
      3  -0.664770D+00  0.372001D+01  0.397720D+01  0.122148D+02  0.493880D+01
      4   0.116766D+02 -0.528318D+01 -0.920474D+01 -0.155540D+02  0.376498D+01
      5  -0.682026D+01  0.498633D+00  0.678357D+01  0.484552D+00 -0.435146D+01
      6  -0.190721D+02  0.381598D+01  0.581211D+01  0.326396D+01 -0.983661D+01
               136           137           138           139           140 
      1   0.169865D+01 -0.315785D+00  0.210758D+01 -0.115751D+01 -0.199434D+01
      2  -0.475310D+01  0.435628D+00 -0.276184D+01  0.202380D+01 -0.692503D+00
      3   0.305445D+01 -0.119843D+00  0.654255D+00 -0.866286D+00  0.268684D+01
      4   0.142159D+01  0.334673D+01  0.328295D+01  0.324266D+01  0.285929D+00
      5   0.557251D+01  0.986928D+00  0.983844D+01 -0.543396D+00  0.269450D+01
      6   0.345240D+01  0.906706D+00  0.258707D+01  0.926594D+00  0.206414D+01
               141           142           143           144           145 
      1  -0.919983D+00  0.596645D+00 -0.266109D+01 -0.146399D+02  0.237113D+02
      2   0.383372D+01 -0.420219D+01  0.343455D+01 -0.185012D+02 -0.463419D+01
      3  -0.291374D+01  0.360554D+01 -0.773455D+00  0.331411D+02 -0.190771D+02
      4   0.211964D+01  0.535619D+01  0.513799D+01  0.217167D+01 -0.365675D+02
      5  -0.249253D+01  0.969461D+01  0.175326D+01  0.215201D+02 -0.622363D+01
      6   0.482729D+01  0.407625D+01  0.582581D+01  0.202286D+02  0.203716D+01
               146           147           148           149           150 
      1  -0.296326D+01 -0.279133D+00 -0.141385D+01  0.154519D+01  0.431246D+00
      2  -0.731955D+01  0.769158D-01 -0.381416D+01  0.408281D+01 -0.211814D+00
      3   0.102828D+02  0.202218D+00  0.522801D+01 -0.562800D+01 -0.219433D+00
      4   0.200101D+02  0.348806D+01  0.111652D+02 -0.751147D+01 -0.607000D+00
      5   0.289927D+01  0.468825D+01  0.113240D+01 -0.460669D+00 -0.150677D+01
      6  -0.282314D+01 -0.519898D+01 -0.123093D+01  0.296612D+00  0.156303D+01
               151           152           153           154           155 
      1   0.100860D+01  0.310043D+00  0.596025D+00  0.313741D+02  0.143496D+02
      2   0.586319D-01 -0.946028D+00 -0.854950D+00 -0.160075D+02 -0.711147D+01
      3  -0.106724D+01  0.635985D+00  0.258925D+00 -0.153666D+02 -0.723814D+01
      4  -0.760216D+00  0.559400D+00 -0.372663D+01  0.152458D+02  0.138572D+02
      5   0.488971D+01 -0.217653D+01 -0.118210D+01 -0.577103D+01 -0.336561D+01
      6  -0.344446D+01  0.337561D+01  0.176623D+01 -0.115138D+01 -0.724263D+00
               156           157           158           159           160 
      1  -0.493861D+01  0.259376D+02  0.136534D+02 -0.385785D+01 -0.857662D+01
      2   0.230284D+01 -0.130709D+02 -0.476595D+01  0.185562D+01  0.516110D+01
      3   0.263578D+01 -0.128667D+02 -0.888747D+01  0.200223D+01  0.341553D+01
      4  -0.288703D+01  0.187396D+02  0.198427D+02 -0.487699D+01 -0.490362D+01
      5   0.664216D+01 -0.524767D+01 -0.537077D+01  0.606864D+01  0.892250D+01
      6   0.859271D+00 -0.176781D+01 -0.151244D+01  0.147717D+01  0.176772D+01
               161           162           163           164           165 
      1  -0.442827D+01  0.513729D+01 -0.226540D+01  0.809014D+01  0.341026D+00
      2   0.256113D+01 -0.411010D+01  0.390441D+01 -0.117576D+02 -0.159595D+01
      3   0.186714D+01 -0.102718D+01 -0.163901D+01  0.366743D+01  0.125493D+01
      4  -0.586224D+01  0.389095D+01 -0.147922D+01  0.104739D+01  0.120262D+01
      5   0.446181D+01 -0.358058D+01  0.666558D+00 -0.979603D+00 -0.960239D+00
      6   0.256217D+01 -0.128595D+01  0.140286D+01  0.221762D+00 -0.156577D+01
               166           167           168           169           170 
      1   0.371809D+01 -0.270798D+02 -0.221727D+01  0.114980D+01 -0.665342D+01
      2  -0.292304D+01  0.473688D+02  0.576709D+01 -0.890028D+00  0.113869D+02
      3  -0.795049D+00 -0.202890D+02 -0.354982D+01 -0.259769D+00 -0.473350D+01
      4   0.580832D+01  0.127202D+02  0.110351D+01  0.199882D+01  0.384572D+01
      5  -0.113194D+01  0.324240D+01  0.269922D+01  0.803325D+00  0.241481D+01
      6  -0.622891D+00  0.115866D+01  0.631099D+01 -0.498914D+00  0.693891D+01
               171           172           173           174           175 
      1  -0.469269D+01  0.291893D+02  0.876655D+01  0.331491D+01  0.117721D+02
      2   0.501803D+01 -0.178670D+02 -0.731050D+01 -0.564038D+01 -0.935474D+01
      3  -0.325340D+00 -0.113223D+02 -0.145605D+01  0.232547D+01 -0.241737D+01
      4   0.133135D+01 -0.360159D+01  0.134367D+02 -0.633209D+01  0.127968D+02
      5   0.747023D+00  0.157402D+02 -0.385212D+01  0.192923D+02 -0.203307D+01
      6   0.180933D+01 -0.389115D+00  0.775466D+01 -0.676562D+01  0.580890D+01
               176           177           178           179           180 
      1   0.135986D+02 -0.485985D+01  0.651569D+01 -0.732037D+01  0.813700D+01
      2  -0.618733D+01  0.213567D+01 -0.716263D+01  0.252568D+01 -0.176609D+02
      3  -0.741130D+01  0.272417D+01  0.646942D+00  0.479469D+01  0.952391D+01
      4   0.242991D+01  0.293218D+01 -0.700283D+01  0.110952D+01 -0.916353D+01
      5   0.431124D+01  0.320071D+01  0.288745D+02 -0.844427D+01  0.278229D+02
      6   0.361356D+01  0.142460D+01 -0.909019D+01  0.967328D+01 -0.302488D+01
               181           182           183           184           185 
      1   0.316488D+02  0.158288D+02 -0.681063D+01  0.262132D+02  0.131816D+02
      2  -0.169645D+02 -0.857880D+01  0.404185D+01 -0.148035D+02 -0.494485D+01
      3  -0.146843D+02 -0.725001D+01  0.276879D+01 -0.114097D+02 -0.823673D+01
      4   0.144267D+02  0.131967D+02 -0.257410D+01  0.160572D+02  0.202698D+02
      5  -0.103922D+02 -0.450018D+01  0.929204D+01 -0.745816D+01 -0.100123D+02
      6  -0.129545D+01 -0.248895D+01  0.201903D+00 -0.296104D+01 -0.235264D+01
               186           187           188           189           190 
      1  -0.435704D+01 -0.777182D+01 -0.225037D+01  0.603430D+01  0.126487D+02
      2   0.367289D+01  0.551400D+01  0.247881D+01 -0.538633D+01 -0.445834D+01
      3   0.684157D+00  0.225782D+01 -0.228444D+00 -0.647972D+00 -0.819035D+01
      4  -0.816920D+01 -0.252317D+01 -0.622457D+01  0.447949D+01 -0.127809D+02
      5   0.833785D+01  0.120164D+02  0.597715D+01 -0.599416D+01 -0.121810D+02
      6   0.268418D+01  0.852022D+00  0.385017D+01 -0.191018D+01  0.560254D+01
               191           192           193           194           195 
      1  -0.735653D+01 -0.796715D+01 -0.117130D+02  0.399401D+01  0.235541D+00
      2   0.164007D+01  0.391426D+01  0.193968D+01  0.843279D+01  0.287878D+01
      3   0.571647D+01  0.405289D+01  0.977334D+01 -0.124268D+02 -0.311432D+01
      4   0.136997D+02  0.703250D+01  0.238883D+02 -0.319399D+02 -0.178072D+02
      5   0.657605D+01  0.102113D+02  0.122656D+02 -0.189607D+02 -0.204700D+02
      6  -0.410830D+01 -0.396051D+01 -0.820271D+01  0.154770D+02  0.141604D+02
               196           197           198           199           200 
      1  -0.923272D+01  0.159475D+00  0.152629D+01 -0.147951D+01  0.966061D+01
      2   0.528913D+01  0.129916D+01 -0.279170D+01  0.364593D+01 -0.131099D+02
      3   0.394360D+01 -0.145864D+01  0.126540D+01 -0.216642D+01  0.344927D+01
      4   0.107846D+02 -0.152520D+02 -0.155192D+02  0.127085D+01  0.351439D+01
      5   0.161182D+02 -0.163433D+02 -0.221561D+02  0.985653D+00 -0.156256D+00
      6  -0.706930D+01  0.125462D+02  0.135410D+02  0.213585D+01 -0.340729D+01
               201           202           203           204           205 
      1   0.240564D+01  0.313737D+01 -0.324365D+02 -0.736105D+01  0.174255D+01
      2  -0.314165D+01 -0.111876D+01  0.566439D+02  0.120043D+02 -0.961478D+00
      3   0.736004D+00 -0.201861D+01 -0.242074D+02 -0.464324D+01 -0.781068D+00
      4   0.143284D+01  0.660726D+01  0.196423D+02  0.332885D+01  0.313869D+01
      5   0.196230D+00  0.404893D-01  0.602230D+01  0.414816D+01  0.135009D+01
      6  -0.244706D+01 -0.397376D+00  0.151318D+02  0.992107D+01 -0.130146D+00
               206           207           208           209           210 
      1  -0.143846D+02 -0.799620D+01 -0.115334D+02 -0.101094D+02  0.746589D+01
      2   0.223185D+02  0.996683D+01  0.742091D+01  0.662194D+01 -0.221515D+01
      3  -0.793392D+01 -0.197063D+01  0.411245D+01  0.348748D+01 -0.525074D+01
      4   0.825831D+01  0.345901D+01 -0.386651D+00 -0.513092D+01  0.262959D+01
      5   0.542987D+01  0.267230D+01 -0.111293D+01  0.133884D+01 -0.599329D+01
      6   0.146635D+02  0.752164D+01 -0.308991D+01 -0.600380D+01  0.605672D+01
               211           212           213           214           215 
      1  -0.130509D+02 -0.144621D+02  0.773972D+01  0.651959D+01  0.641693D+01
      2   0.801365D+01  0.130266D+02 -0.538131D+01 -0.293059D+01 -0.355200D+01
      3   0.503721D+01  0.143552D+01 -0.235841D+01 -0.358899D+01 -0.286493D+01
      4   0.679839D+00 -0.112150D+02  0.643999D+01  0.271177D+00  0.503686D+01
      5  -0.130324D+01  0.508655D+01 -0.777347D+01  0.155572D+01 -0.305928D+01
      6  -0.318062D+01 -0.104240D+02  0.847524D+01  0.235289D+01  0.678546D+01
               216 
      1  -0.766561D+01
      2   0.159852D+01
      3   0.606710D+01
      4  -0.277849D+01
      5   0.675468D+01
      6  -0.645749D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 12:43:27 2021, MaxMem=  6442450944 cpu:           40020.4 elap:            5005.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.30793 -19.30153 -19.29544 -19.28736 -19.28020
 Alpha  occ. eigenvalues --  -19.27155 -10.41573 -10.36151 -10.36140 -10.35836
 Alpha  occ. eigenvalues --  -10.35332 -10.34340  -1.20530  -1.16093  -1.15224
 Alpha  occ. eigenvalues --   -1.13846  -1.12801  -1.12299  -0.90006  -0.88462
 Alpha  occ. eigenvalues --   -0.79975  -0.75486  -0.72691  -0.69413  -0.67057
 Alpha  occ. eigenvalues --   -0.63604  -0.62526  -0.61522  -0.58884  -0.58803
 Alpha  occ. eigenvalues --   -0.56820  -0.55802  -0.53386  -0.51971  -0.50666
 Alpha  occ. eigenvalues --   -0.50038  -0.48020  -0.47530  -0.45717  -0.44262
 Alpha  occ. eigenvalues --   -0.43069  -0.42204  -0.41270  -0.39695  -0.38098
 Alpha  occ. eigenvalues --   -0.36977  -0.36406  -0.35789
 Alpha virt. eigenvalues --    0.02834   0.03955   0.04273   0.04836   0.05771
 Alpha virt. eigenvalues --    0.06342   0.06627   0.07011   0.07301   0.08373
 Alpha virt. eigenvalues --    0.09311   0.09483   0.11027   0.11582   0.12447
 Alpha virt. eigenvalues --    0.12796   0.13109   0.13736   0.14258   0.14483
 Alpha virt. eigenvalues --    0.14748   0.15735   0.15954   0.16204   0.16940
 Alpha virt. eigenvalues --    0.17299   0.17649   0.18006   0.18389   0.19031
 Alpha virt. eigenvalues --    0.19407   0.20376   0.20578   0.20632   0.21544
 Alpha virt. eigenvalues --    0.22005   0.22316   0.22867   0.23593   0.24450
 Alpha virt. eigenvalues --    0.24691   0.25523   0.26603   0.26786   0.27092
 Alpha virt. eigenvalues --    0.27803   0.28324   0.28565   0.28922   0.29265
 Alpha virt. eigenvalues --    0.29426   0.30421   0.30628   0.31043   0.31084
 Alpha virt. eigenvalues --    0.31784   0.32422   0.33054   0.33217   0.33395
 Alpha virt. eigenvalues --    0.34495   0.34690   0.34803   0.35548   0.36216
 Alpha virt. eigenvalues --    0.36717   0.36840   0.37229   0.37714   0.38398
 Alpha virt. eigenvalues --    0.39057   0.39631   0.40245   0.40455   0.41499
 Alpha virt. eigenvalues --    0.42211   0.42674   0.43385   0.43778   0.44573
 Alpha virt. eigenvalues --    0.44645   0.45239   0.45533   0.47005   0.47529
 Alpha virt. eigenvalues --    0.48128   0.48502   0.48945   0.49468   0.49891
 Alpha virt. eigenvalues --    0.50395   0.51292   0.52044   0.52459   0.53472
 Alpha virt. eigenvalues --    0.54339   0.56136   0.56853   0.57911   0.58485
 Alpha virt. eigenvalues --    0.59348   0.59601   0.59964   0.60757   0.61223
 Alpha virt. eigenvalues --    0.61870   0.62443   0.62619   0.63508   0.64123
 Alpha virt. eigenvalues --    0.65130   0.65871   0.66860   0.67256   0.67387
 Alpha virt. eigenvalues --    0.68716   0.69721   0.70503   0.70836   0.70917
 Alpha virt. eigenvalues --    0.71588   0.72191   0.73134   0.73615   0.74333
 Alpha virt. eigenvalues --    0.75519   0.75833   0.76365   0.78064   0.78632
 Alpha virt. eigenvalues --    0.79012   0.79524   0.80287   0.80879   0.81833
 Alpha virt. eigenvalues --    0.82206   0.83778   0.85214   0.85712   0.86528
 Alpha virt. eigenvalues --    0.86724   0.87766   0.88645   0.88975   0.90090
 Alpha virt. eigenvalues --    0.91250   0.92856   0.93028   0.93984   0.95418
 Alpha virt. eigenvalues --    0.95640   0.96319   0.96882   0.99251   1.00566
 Alpha virt. eigenvalues --    1.01559   1.02153   1.03623   1.04695   1.05502
 Alpha virt. eigenvalues --    1.07938   1.08267   1.08755   1.09977   1.10657
 Alpha virt. eigenvalues --    1.12881   1.13348   1.14745   1.15302   1.16080
 Alpha virt. eigenvalues --    1.16243   1.17457   1.18794   1.19464   1.21611
 Alpha virt. eigenvalues --    1.22120   1.22540   1.23593   1.24780   1.26494
 Alpha virt. eigenvalues --    1.27420   1.28757   1.31320   1.32924   1.33700
 Alpha virt. eigenvalues --    1.34486   1.35169   1.36993   1.38595   1.39619
 Alpha virt. eigenvalues --    1.40323   1.44045   1.44597   1.46463   1.47392
 Alpha virt. eigenvalues --    1.49215   1.49931   1.50882   1.52022   1.53698
 Alpha virt. eigenvalues --    1.54639   1.56657   1.56932   1.58600   1.59792
 Alpha virt. eigenvalues --    1.61061   1.63573   1.65722   1.66329   1.67173
 Alpha virt. eigenvalues --    1.67454   1.69925   1.71126   1.72096   1.73266
 Alpha virt. eigenvalues --    1.73880   1.77272   1.78114   1.79786   1.81544
 Alpha virt. eigenvalues --    1.82485   1.83248   1.84884   1.86279   1.87676
 Alpha virt. eigenvalues --    1.88586   1.91131   1.91522   1.91886   1.93232
 Alpha virt. eigenvalues --    1.93893   1.97098   1.98721   1.99085   1.99809
 Alpha virt. eigenvalues --    2.01243   2.01472   2.03407   2.04182   2.06545
 Alpha virt. eigenvalues --    2.07648   2.08364   2.09687   2.10761   2.12374
 Alpha virt. eigenvalues --    2.14793   2.14890   2.15900   2.17132   2.18698
 Alpha virt. eigenvalues --    2.20006   2.21200   2.21669   2.24974   2.26044
 Alpha virt. eigenvalues --    2.26950   2.28274   2.29848   2.32138   2.32552
 Alpha virt. eigenvalues --    2.33961   2.35810   2.37533   2.38713   2.39464
 Alpha virt. eigenvalues --    2.41537   2.42395   2.45392   2.47925   2.48134
 Alpha virt. eigenvalues --    2.50564   2.52882   2.53767   2.54375   2.57265
 Alpha virt. eigenvalues --    2.58216   2.60156   2.63617   2.64375   2.65167
 Alpha virt. eigenvalues --    2.67048   2.68264   2.69465   2.75200   2.76881
 Alpha virt. eigenvalues --    2.79146   2.80687   2.81642   2.82360   2.85972
 Alpha virt. eigenvalues --    2.87626   2.89141   2.91787   2.94504   2.94916
 Alpha virt. eigenvalues --    3.08238   3.09420   3.16042   3.20671   3.23832
 Alpha virt. eigenvalues --    3.33151   3.40157   3.43262   3.47101   3.49550
 Alpha virt. eigenvalues --    3.50399   3.51312   3.52485   3.52834   3.53759
 Alpha virt. eigenvalues --    3.54225   3.56036   3.57437   3.58655   3.59398
 Alpha virt. eigenvalues --    3.59942   3.61120   3.61520   3.62519   3.64607
 Alpha virt. eigenvalues --    3.66461   3.68546   3.71278   3.74585   3.78211
 Alpha virt. eigenvalues --    3.82702   3.85447   3.93483   3.95119   4.04198
 Alpha virt. eigenvalues --    4.08908   4.11286   4.13528   4.16178   4.22125
 Alpha virt. eigenvalues --    4.44801
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    8.479976  -0.895467  -1.239238   0.067053   0.012367   0.047200
     2  C   -0.895467   7.991189  -0.834910   0.451671   0.226136  -1.298560
     3  C   -1.239238  -0.834910   8.945141  -2.308910   0.146111   0.546701
     4  C    0.067053   0.451671  -2.308910  10.349332  -0.750477  -1.389105
     5  O    0.012367   0.226136   0.146111  -0.750477   9.274916   0.014652
     6  C    0.047200  -1.298560   0.546701  -1.389105   0.014652   7.255712
     7  O   -0.440153   0.199388   0.071169   0.123440  -0.003173  -0.052522
     8  H   -0.762454   0.346986  -0.171724  -0.002225   0.003771  -0.176463
     9  O    0.117537  -0.464555   0.109961  -0.041449  -0.014887   0.181113
    10  H   -0.249762  -0.634907   0.162420  -0.085126  -0.036878   0.267236
    11  H    0.096757  -0.009920  -0.593494  -0.186571   0.044410   0.002289
    12  O    0.181994  -0.008076  -0.383483   0.055819   0.003079   0.012310
    13  C   -0.400439   0.162065   0.075730  -0.480813   0.035222  -0.110806
    14  H   -0.135785   0.121737   0.606513  -1.302065   0.040238   0.047734
    15  O    0.079477   0.016616  -0.059822   0.124441  -0.093568  -0.046840
    16  H   -0.032910  -0.107971   0.089019   0.212701   0.010892  -0.529029
    17  H    0.078074  -0.099095   0.016829  -0.015137  -0.001972   0.026364
    18  H   -0.018040   0.149890  -0.019670   0.012240   0.007116  -0.117722
    19  H   -0.062340   0.000897   0.058666  -0.001760  -0.001805  -0.004514
    20  O   -0.001306   0.001093  -0.081057   0.160602  -0.057280  -0.004012
    21  H    0.083409  -0.004275   0.020104  -0.235725   0.142746   0.043202
    22  H   -0.014618  -0.002185  -0.039597   0.470779  -0.106773  -0.021862
    23  H   -0.001571  -0.040346   0.019235  -0.057542  -0.008728   0.097093
    24  H   -0.001933   0.001096   0.027391  -0.056827   0.051906  -0.009934
               7          8          9         10         11         12
     1  C   -0.440153  -0.762454   0.117537  -0.249762   0.096757   0.181994
     2  C    0.199388   0.346986  -0.464555  -0.634907  -0.009920  -0.008076
     3  C    0.071169  -0.171724   0.109961   0.162420  -0.593494  -0.383483
     4  C    0.123440  -0.002225  -0.041449  -0.085126  -0.186571   0.055819
     5  O   -0.003173   0.003771  -0.014887  -0.036878   0.044410   0.003079
     6  C   -0.052522  -0.176463   0.181113   0.267236   0.002289   0.012310
     7  O    8.584858  -0.097541  -0.018169   0.018996  -0.029055  -0.021257
     8  H   -0.097541   2.095417  -0.038864   0.077512   0.105397   0.029454
     9  O   -0.018169  -0.038864   8.555646  -0.067100  -0.004666  -0.003032
    10  H    0.018996   0.077512  -0.067100   1.874125   0.030288   0.003102
    11  H   -0.029055   0.105397  -0.004666   0.030288   2.038887  -0.076215
    12  O   -0.021257   0.029454  -0.003032   0.003102  -0.076215   8.536278
    13  C   -0.003147   0.076312  -0.004060   0.032511  -0.029467   0.013284
    14  H   -0.004061   0.004276  -0.013710  -0.005964   0.095526  -0.044834
    15  O   -0.001416  -0.001335  -0.007213  -0.018954  -0.006106   0.000639
    16  H    0.001847   0.003115   0.028573   0.089008  -0.001074  -0.008381
    17  H    0.317589  -0.077840   0.020267  -0.010383   0.001493   0.003314
    18  H    0.004353   0.005971   0.306754  -0.077368  -0.001536   0.000031
    19  H    0.019716  -0.009250   0.000168   0.001568  -0.057486   0.329080
    20  O    0.000528  -0.002945   0.000053  -0.004659   0.007685   0.011306
    21  H   -0.001234   0.010754   0.000016   0.003608  -0.024847  -0.005234
    22  H    0.000463   0.002298   0.000049  -0.001363   0.015184   0.005188
    23  H   -0.000317  -0.003207   0.004931   0.000201   0.001178   0.000239
    24  H   -0.000302   0.000544  -0.000110   0.001135  -0.009948  -0.001929
              13         14         15         16         17         18
     1  C   -0.400439  -0.135785   0.079477  -0.032910   0.078074  -0.018040
     2  C    0.162065   0.121737   0.016616  -0.107971  -0.099095   0.149890
     3  C    0.075730   0.606513  -0.059822   0.089019   0.016829  -0.019670
     4  C   -0.480813  -1.302065   0.124441   0.212701  -0.015137   0.012240
     5  O    0.035222   0.040238  -0.093568   0.010892  -0.001972   0.007116
     6  C   -0.110806   0.047734  -0.046840  -0.529029   0.026364  -0.117722
     7  O   -0.003147  -0.004061  -0.001416   0.001847   0.317589   0.004353
     8  H    0.076312   0.004276  -0.001335   0.003115  -0.077840   0.005971
     9  O   -0.004060  -0.013710  -0.007213   0.028573   0.020267   0.306754
    10  H    0.032511  -0.005964  -0.018954   0.089008  -0.010383  -0.077368
    11  H   -0.029467   0.095526  -0.006106  -0.001074   0.001493  -0.001536
    12  O    0.013284  -0.044834   0.000639  -0.008381   0.003314   0.000031
    13  C    5.327599  -0.017253  -0.021137   0.034048  -0.004299   0.001265
    14  H   -0.017253   2.312824  -0.007308  -0.014236  -0.001482   0.002177
    15  O   -0.021137  -0.007308   8.423733  -0.132718  -0.000419   0.013387
    16  H    0.034048  -0.014236  -0.132718   1.850120  -0.000265  -0.019162
    17  H   -0.004299  -0.001482  -0.000419  -0.000265   0.609628  -0.002197
    18  H    0.001265   0.002177   0.013387  -0.019162  -0.002197   0.620184
    19  H    0.001824  -0.000357  -0.000017  -0.000241  -0.002137  -0.000214
    20  O    0.089246  -0.003314  -0.000729  -0.002326   0.000331   0.000112
    21  H    0.049117  -0.057791   0.000248   0.004894  -0.000309   0.000000
    22  H   -0.049406  -0.093055  -0.003821  -0.000544   0.000027   0.000006
    23  H   -0.002393  -0.002868   0.331426  -0.080524   0.000160  -0.002393
    24  H   -0.027691   0.008289   0.003149   0.001537  -0.000141   0.000026
              19         20         21         22         23         24
     1  C   -0.062340  -0.001306   0.083409  -0.014618  -0.001571  -0.001933
     2  C    0.000897   0.001093  -0.004275  -0.002185  -0.040346   0.001096
     3  C    0.058666  -0.081057   0.020104  -0.039597   0.019235   0.027391
     4  C   -0.001760   0.160602  -0.235725   0.470779  -0.057542  -0.056827
     5  O   -0.001805  -0.057280   0.142746  -0.106773  -0.008728   0.051906
     6  C   -0.004514  -0.004012   0.043202  -0.021862   0.097093  -0.009934
     7  O    0.019716   0.000528  -0.001234   0.000463  -0.000317  -0.000302
     8  H   -0.009250  -0.002945   0.010754   0.002298  -0.003207   0.000544
     9  O    0.000168   0.000053   0.000016   0.000049   0.004931  -0.000110
    10  H    0.001568  -0.004659   0.003608  -0.001363   0.000201   0.001135
    11  H   -0.057486   0.007685  -0.024847   0.015184   0.001178  -0.009948
    12  O    0.329080   0.011306  -0.005234   0.005188   0.000239  -0.001929
    13  C    0.001824   0.089246   0.049117  -0.049406  -0.002393  -0.027691
    14  H   -0.000357  -0.003314  -0.057791  -0.093055  -0.002868   0.008289
    15  O   -0.000017  -0.000729   0.000248  -0.003821   0.331426   0.003149
    16  H   -0.000241  -0.002326   0.004894  -0.000544  -0.080524   0.001537
    17  H   -0.002137   0.000331  -0.000309   0.000027   0.000160  -0.000141
    18  H   -0.000214   0.000112   0.000000   0.000006  -0.002393   0.000026
    19  H    0.599191  -0.001012  -0.002464   0.000237   0.000094  -0.000270
    20  O   -0.001012   8.240956  -0.138173  -0.017713   0.000850   0.315319
    21  H   -0.002464  -0.138173   1.752120  -0.377249   0.000025   0.025842
    22  H    0.000237  -0.017713  -0.377249   1.522004   0.000654  -0.056344
    23  H    0.000094   0.000850   0.000025   0.000654   0.593131  -0.001232
    24  H   -0.000270   0.315319   0.025842  -0.056344  -0.001232   0.587963
 Mulliken charges:
               1
     1  C    1.012169
     2  C    0.731504
     3  C    0.836914
     4  C    0.885653
     5  O   -0.938020
     6  C    1.219764
     7  O   -0.669999
     8  H   -0.417960
     9  O   -0.647254
    10  H   -0.369247
    11  H   -0.408707
    12  O   -0.632675
    13  C    1.252688
    14  H   -0.535232
    15  O   -0.591714
    16  H   -0.396374
    17  H    0.141602
    18  H    0.134791
    19  H    0.132427
    20  O   -0.513555
    21  H   -0.288783
    22  H   -0.232361
    23  H    0.151906
    24  H    0.142465
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.594209
     2  C    0.362257
     3  C    0.428207
     4  C    0.350421
     5  O   -0.938020
     6  C    0.823390
     7  O   -0.528398
     9  O   -0.512464
    12  O   -0.500248
    13  C    0.731544
    15  O   -0.439808
    20  O   -0.371091
 Electronic spatial extent (au):  <R**2>=           2112.0356
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.3411    Y=             -1.9166    Z=             -1.6693  Tot=              3.4555
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -76.3766   YY=            -66.0529   ZZ=            -71.7001
   XY=              0.4623   XZ=             -3.6166   YZ=              3.2191
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.0001   YY=              5.3236   ZZ=             -0.3236
   XY=              0.4623   XZ=             -3.6166   YZ=              3.2191
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -40.1161  YYY=            -16.7950  ZZZ=              2.7495  XYY=            -10.2162
  XXY=             -3.0251  XXZ=             -6.3901  XZZ=             -6.4828  YZZ=             -7.9853
  YYZ=             -6.1228  XYZ=              0.6607
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1436.0509 YYYY=           -776.1320 ZZZZ=           -207.5043 XXXY=             22.9363
 XXXZ=            -82.1904 YYYX=             19.3910 YYYZ=             23.5250 ZZZX=              3.3946
 ZZZY=             -3.7858 XXYY=           -365.6102 XXZZ=           -288.3802 YYZZ=           -192.6617
 XXYZ=             16.0857 YYXZ=             26.3200 ZZXY=             -2.3485
 N-N= 8.322360857610D+02 E-N=-3.276920163543D+03  KE= 6.830854136203D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 12:43:28 2021, MaxMem=  6442450944 cpu:               4.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-9.50149552D-01-7.53181633D-01-6.16387396D-01
 Polarizability= 1.02930924D+02 1.59990274D+00 9.62713087D+01
                -2.38552572D+00 4.73169925D-01 7.96383503D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.8995    0.8984        0.5929    0.5918
 2     -0.8995   -0.8984       -0.0663   -0.0662       -3.4371   -3.4388
 3     -0.5929   -0.5918       11.5728   11.5722        0.0674    0.0662
 4      0.0663    0.0662       -0.0000    0.0000       -0.5919   -0.5918
 5     -8.1357   -8.1333        0.5919    0.5918        0.8988    0.8984
 6     -0.0674   -0.0662       -0.8988   -0.8984        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.6951   -2.6951        1.7755    1.7755
 2      0.1986    0.1986        0.0000    0.0000        1.7755    1.7755
 3      0.1986    0.1986       -2.6951   -2.6951        0.0000    0.0000
 4     -2.6951   -2.6951       -0.1986   -0.1986      -10.3165  -10.3165
 5     -1.7755   -1.7755       34.7165   34.7165        0.1986    0.1986
 6    -24.4000  -24.4000        1.7755    1.7755        2.6951    2.6951
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0158    0.0000       -2.8357   -3.5935       -2.3050   -2.3673
 2      3.3181    3.5935        0.2391    0.2648       13.8126   13.7554
 3      2.2686    2.3673      -46.0494  -46.2887       -0.0946   -0.2648
 4     -0.1245   -0.2648        0.2023    0.0000        2.1707    2.3673
 5     32.7409   32.5333       -2.3479   -2.3673       -3.7391   -3.5935
 6      0.5206    0.2648        3.9280    3.5935       -0.0635    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1043    0.0000        1.4726    1.3072       -2.9611   -3.0174
 2     -1.2772   -1.3072        6.6167    6.5482       10.7083   10.7713
 3      3.2780    3.0174       -0.8272   -0.2952       -6.1669   -6.5482
 4     -6.4661   -6.5482       -0.2779    0.0000        2.9974    3.0174
 5    -10.5123  -10.4761       -2.6986   -3.0174        1.1173    1.3072
 6      6.3228    6.5482       -1.2271   -1.3072       -0.0464    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -25.0804  -24.9276        8.7145    8.9334        1.2096    1.2648
 2    -38.0993  -38.2172       15.0560   15.3816        1.3155    1.2648
 3    -38.2015  -38.2172        8.3973    8.9334        2.6403    2.7032
 4     -6.3881   -6.4482       13.3232   13.2896        7.7404    7.8560
 5      1.7897    1.4383        1.5858    2.1903      -13.1794  -13.2896
 6     -9.8741  -10.0463       -1.1394   -1.4383        5.7142    6.4482
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2536    0.0009    0.0011    0.0011    1.5940    6.0913
 Low frequencies ---   71.0075   91.9562  118.6735
 Diagonal vibrational polarizability:
       79.5016150      49.8743605      62.4433998
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     71.0072                91.9561               118.6734
 Red. masses --      6.1497                 5.4982                 6.6892
 Frc consts  --      0.0183                 0.0274                 0.0555
 IR Inten    --      1.0587                 2.4853                 2.4488
 RamAct Fr= 1--      0.0561                 0.2069                 0.0477
  Dep-P Fr= 1--      0.6321                 0.7423                 0.7466
  Dep-U Fr= 1--      0.7746                 0.8521                 0.8549
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0072                 0.0294                 0.0068
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0067                 0.0615                 0.0517
 Delta2 Fr= 1--     -0.0075                -0.0265                 0.0282
 Raman1 Fr= 1--       0.224                  0.828                  0.191
 ROA1   Fr= 1--      -0.887                  5.058                  5.861
 CID1   Fr= 1--      -3.954                  6.111                 30.726
 Raman2 Fr= 1--       0.087                  0.353                  0.082
 ROA2   Fr= 1--      -0.102                  1.689                  1.015
 CID2   Fr= 1--      -1.168                  4.789                 12.445
 Raman3 Fr= 1--       0.174                  0.705                  0.163
 ROA3   Fr= 1--      -0.887                  5.058                  5.861
 CID3   Fr= 1--      -5.104                  7.172                 35.939
 RC180  Fr= 1--       0.549                  0.704                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01     0.01  -0.01   0.07    -0.01   0.04   0.09
     2   6     0.07  -0.02   0.07    -0.04  -0.02  -0.02    -0.04   0.01  -0.05
     3   6     0.02   0.03  -0.11     0.02  -0.05  -0.02     0.01   0.08  -0.06
     4   6     0.05   0.00  -0.04    -0.03  -0.09   0.03     0.01   0.04   0.01
     5   8     0.01  -0.00  -0.11    -0.05  -0.04   0.11     0.04   0.06   0.09
     6   6     0.01   0.04  -0.08    -0.02  -0.00  -0.02     0.05  -0.01   0.05
     7   8     0.05  -0.01   0.05     0.09  -0.06   0.21     0.04  -0.06   0.30
     8   1    -0.10  -0.01   0.03    -0.04   0.10   0.10    -0.08   0.20   0.12
     9   8     0.03  -0.02   0.28    -0.02   0.04  -0.10     0.01  -0.00  -0.29
    10   1     0.23  -0.08   0.04    -0.11  -0.06  -0.01    -0.21   0.01  -0.03
    11   1     0.10   0.14  -0.12     0.08   0.00  -0.03     0.14   0.19  -0.08
    12   8    -0.04  -0.00  -0.27     0.01  -0.10  -0.12    -0.10   0.05  -0.27
    13   6     0.01  -0.00   0.17    -0.01  -0.05  -0.02     0.01   0.03   0.03
    14   1     0.18  -0.01  -0.05    -0.07  -0.16   0.03    -0.00  -0.02   0.01
    15   8     0.01  -0.01  -0.19    -0.12  -0.01  -0.15     0.09   0.00   0.12
    16   1    -0.01   0.16  -0.07     0.10   0.06  -0.03     0.07  -0.09   0.04
    17   1     0.03  -0.05   0.17     0.10   0.04   0.19     0.05   0.06   0.23
    18   1     0.10  -0.08   0.25    -0.06   0.03  -0.18    -0.05   0.04  -0.28
    19   1     0.03   0.02  -0.24     0.12  -0.07  -0.06     0.01   0.07  -0.20
    20   8    -0.21   0.01   0.20     0.14   0.34   0.02    -0.09  -0.22  -0.00
    21   1     0.05  -0.01   0.25    -0.02  -0.14  -0.32     0.01   0.09   0.21
    22   1     0.09  -0.01   0.23    -0.10  -0.22   0.19     0.06   0.14  -0.11
    23   1    -0.02   0.04  -0.28    -0.08   0.01  -0.15     0.14  -0.02   0.19
    24   1    -0.27   0.02   0.11     0.28   0.32   0.28    -0.21  -0.17  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    140.5943               231.3316               241.7153
 Red. masses --      6.3874                 2.9487                 2.9404
 Frc consts  --      0.0744                 0.0930                 0.1012
 IR Inten    --      0.7573                19.8499                 5.8194
 RamAct Fr= 1--      0.0642                 0.2994                 0.4007
  Dep-P Fr= 1--      0.6109                 0.4319                 0.7470
  Dep-U Fr= 1--      0.7585                 0.6033                 0.8552
 Alpha2 Fr= 1--      0.0002                 0.0020                 0.0000
 Beta2  Fr= 1--      0.0081                 0.0301                 0.0571
 AlphaG Fr= 1--     -0.0001                -0.0046                 0.0003
 Gamma2 Fr= 1--      0.0037                 0.0203                -0.0495
 Delta2 Fr= 1--     -0.0170                 0.0533                -0.0643
 Raman1 Fr= 1--       0.257                  1.198                  1.603
 ROA1   Fr= 1--      -0.192                  3.652                 -6.808
 CID1   Fr= 1--      -0.746                  3.049                 -4.248
 Raman2 Fr= 1--       0.097                  0.361                  0.685
 ROA2   Fr= 1--       0.223                  0.060                 -0.672
 CID2   Fr= 1--       2.296                  0.167                 -0.981
 Raman3 Fr= 1--       0.195                  0.722                  1.371
 ROA3   Fr= 1--      -0.192                  3.652                 -6.808
 CID3   Fr= 1--      -0.984                  5.055                 -4.967
 RC180  Fr= 1--       0.517                  0.207                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.02    -0.02   0.01   0.01    -0.03   0.08  -0.04
     2   6    -0.02   0.00   0.07    -0.03   0.01   0.05     0.06   0.03  -0.06
     3   6    -0.01   0.07   0.05    -0.03  -0.04  -0.02    -0.02   0.02  -0.01
     4   6     0.00   0.00   0.17    -0.01  -0.02  -0.03    -0.02  -0.00   0.02
     5   8     0.00   0.05   0.28     0.02  -0.02   0.04     0.02  -0.05  -0.02
     6   6     0.04   0.05   0.03     0.03   0.03   0.04     0.02   0.01  -0.02
     7   8    -0.10   0.06  -0.13     0.22   0.12  -0.01    -0.12  -0.01   0.05
     8   1     0.01  -0.11  -0.00    -0.07   0.00   0.02    -0.02   0.13  -0.03
     9   8    -0.02  -0.02   0.08    -0.04  -0.20  -0.02     0.02  -0.14   0.02
    10   1    -0.01  -0.00   0.07    -0.04   0.05   0.05     0.12   0.05  -0.06
    11   1     0.01   0.22   0.05    -0.04  -0.09  -0.02    -0.06   0.04  -0.00
    12   8    -0.08   0.02  -0.13    -0.06   0.01   0.05     0.15  -0.10  -0.04
    13   6     0.04  -0.00   0.01    -0.00   0.05  -0.02     0.01   0.11   0.02
    14   1    -0.07  -0.08   0.17    -0.04  -0.06  -0.03    -0.01   0.00   0.02
    15   8    -0.08  -0.00  -0.26    -0.03   0.03  -0.02    -0.12   0.12   0.06
    16   1     0.27   0.20   0.01     0.04   0.08   0.05     0.03  -0.04  -0.03
    17   1    -0.10  -0.00  -0.16     0.27   0.54  -0.23    -0.14  -0.18   0.18
    18   1     0.01  -0.08  -0.05     0.15  -0.42  -0.29     0.20  -0.30  -0.11
    19   1    -0.13   0.05  -0.26    -0.21  -0.04  -0.01     0.44  -0.02   0.09
    20   8     0.23  -0.22  -0.06    -0.06   0.01  -0.02     0.02  -0.01  -0.01
    21   1    -0.01   0.05   0.05    -0.04   0.09   0.04    -0.10   0.22   0.12
    22   1    -0.00   0.10  -0.16     0.07   0.08  -0.04     0.13   0.22  -0.07
    23   1    -0.01   0.07  -0.34    -0.16   0.06  -0.13    -0.45   0.08  -0.05
    24   1     0.24  -0.22  -0.06    -0.08   0.01  -0.06     0.11  -0.13  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    253.1725               267.2265               285.6060
 Red. masses --      3.9731                 2.4207                 1.8791
 Frc consts  --      0.1500                 0.1018                 0.0903
 IR Inten    --      2.6964                 4.1559                68.1916
 RamAct Fr= 1--      0.7846                 0.1781                 0.8059
  Dep-P Fr= 1--      0.2227                 0.3409                 0.4503
  Dep-U Fr= 1--      0.3643                 0.5084                 0.6210
 Alpha2 Fr= 1--      0.0100                 0.0016                 0.0049
 Beta2  Fr= 1--      0.0476                 0.0151                 0.0834
 AlphaG Fr= 1--     -0.0008                 0.0029                 0.0113
 Gamma2 Fr= 1--     -0.1157                 0.0362                -0.1980
 Delta2 Fr= 1--      0.0142                 0.0544                 0.0018
 Raman1 Fr= 1--       3.138                  0.712                  3.224
 ROA1   Fr= 1--     -10.655                  5.214                -18.949
 CID1   Fr= 1--      -3.395                  7.319                 -5.878
 Raman2 Fr= 1--       0.572                  0.181                  1.001
 ROA2   Fr= 1--      -2.891                  0.433                 -4.767
 CID2   Fr= 1--      -5.056                  2.393                 -4.762
 Raman3 Fr= 1--       1.143                  0.362                  2.002
 ROA3   Fr= 1--     -10.655                  5.214                -18.949
 CID3   Fr= 1--      -9.319                 14.396                 -9.465
 RC180  Fr= 1--      -0.271                  0.017                  0.242
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.02     0.02  -0.04   0.02    -0.06   0.04  -0.05
     2   6    -0.03   0.00  -0.00    -0.01  -0.02   0.03    -0.07   0.02  -0.05
     3   6    -0.03  -0.03   0.02    -0.02  -0.06   0.01    -0.05  -0.01  -0.04
     4   6     0.06  -0.01   0.03    -0.04  -0.03   0.00    -0.00  -0.00   0.01
     5   8    -0.02  -0.07  -0.22     0.01  -0.05   0.04    -0.03   0.03  -0.01
     6   6    -0.07   0.00  -0.05    -0.01  -0.05   0.03    -0.03   0.02  -0.04
     7   8     0.05  -0.00   0.00     0.06  -0.01  -0.02     0.04   0.04   0.03
     8   1     0.01  -0.04   0.02     0.01  -0.07   0.01    -0.08   0.10  -0.04
     9   8    -0.02   0.04  -0.02     0.02   0.13  -0.01    -0.11  -0.03   0.05
    10   1    -0.05  -0.04  -0.01    -0.05  -0.02   0.03    -0.01   0.03  -0.06
    11   1    -0.01   0.02   0.02    -0.00  -0.07   0.01    -0.11  -0.01  -0.02
    12   8    -0.17   0.03  -0.04     0.02  -0.09  -0.00     0.05  -0.07  -0.01
    13   6     0.08   0.04   0.11     0.01   0.23   0.00     0.01   0.02   0.04
    14   1     0.23   0.11   0.03    -0.08  -0.05   0.00     0.05  -0.02   0.00
    15   8    -0.07   0.06   0.09    -0.01  -0.07  -0.03     0.06  -0.01  -0.02
    16   1    -0.21  -0.02  -0.03     0.02  -0.02   0.03    -0.01  -0.01  -0.05
    17   1     0.07   0.11  -0.07     0.06   0.03  -0.04     0.05   0.14   0.05
    18   1    -0.05   0.05  -0.03    -0.13   0.29   0.15    -0.06  -0.02   0.15
    19   1    -0.37  -0.02  -0.15    -0.01  -0.07  -0.08     0.25  -0.04   0.13
    20   8     0.23  -0.04   0.09    -0.06   0.02  -0.02     0.07  -0.03   0.02
    21   1    -0.00   0.12   0.15    -0.22   0.47   0.22    -0.03   0.05   0.06
    22   1     0.16   0.12   0.04     0.33   0.44  -0.14     0.03   0.05   0.00
    23   1    -0.33   0.03   0.00     0.01  -0.04  -0.06     0.72  -0.09   0.44
    24   1     0.48  -0.27   0.07     0.06  -0.16  -0.21     0.14  -0.09   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    300.0200               333.9123               367.6705
 Red. masses --      3.6516                 1.4431                 1.2650
 Frc consts  --      0.1937                 0.0948                 0.1008
 IR Inten    --     10.0981                32.2038                88.7901
 RamAct Fr= 1--      0.4019                 2.2036                 1.0455
  Dep-P Fr= 1--      0.6644                 0.3179                 0.6995
  Dep-U Fr= 1--      0.7984                 0.4824                 0.8232
 Alpha2 Fr= 1--      0.0006                 0.0214                 0.0009
 Beta2  Fr= 1--      0.0535                 0.1772                 0.1434
 AlphaG Fr= 1--     -0.0029                -0.0238                 0.0004
 Gamma2 Fr= 1--      0.1247                 0.2262                 0.0745
 Delta2 Fr= 1--      0.1224                 0.4206                -0.2431
 Raman1 Fr= 1--       1.608                  8.814                  4.182
 ROA1   Fr= 1--      15.886                 35.177                 -0.632
 CID1   Fr= 1--       9.881                  3.991                 -0.151
 Raman2 Fr= 1--       0.642                  2.126                  1.721
 ROA2   Fr= 1--       2.012                  2.064                  3.732
 CID2   Fr= 1--       3.136                  0.971                  2.168
 Raman3 Fr= 1--       1.284                  4.252                  3.443
 ROA3   Fr= 1--      15.886                 35.177                 -0.632
 CID3   Fr= 1--      12.376                  8.273                 -0.184
 RC180  Fr= 1--       0.597                 -0.035                  0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.17     0.03  -0.02   0.04    -0.00  -0.04   0.01
     2   6     0.03  -0.00  -0.15     0.05  -0.00   0.02    -0.02   0.00   0.06
     3   6    -0.02  -0.02  -0.14     0.02  -0.01   0.04     0.00  -0.03  -0.02
     4   6     0.04  -0.04  -0.05    -0.00  -0.01   0.00     0.02  -0.01  -0.03
     5   8     0.01   0.02   0.16     0.01  -0.05  -0.01     0.00   0.01  -0.00
     6   6     0.02  -0.04  -0.05     0.02   0.02  -0.01    -0.01   0.03   0.04
     7   8     0.09  -0.13   0.04    -0.03  -0.01  -0.01     0.02   0.00  -0.05
     8   1    -0.05   0.10  -0.14     0.05  -0.04   0.03    -0.02  -0.09   0.01
     9   8    -0.01   0.02   0.07     0.06   0.01   0.01    -0.01   0.04  -0.00
    10   1     0.17   0.03  -0.16     0.04  -0.04   0.01    -0.06   0.00   0.06
    11   1    -0.13  -0.11  -0.12     0.05  -0.01   0.03     0.04  -0.05  -0.03
    12   8    -0.08   0.14   0.09    -0.02  -0.01   0.00    -0.06   0.01  -0.02
    13   6     0.06   0.02   0.01    -0.00   0.01  -0.02     0.03   0.00   0.00
    14   1     0.03  -0.23  -0.06    -0.04   0.01   0.01     0.03  -0.04  -0.03
    15   8    -0.12   0.07   0.01    -0.08   0.08  -0.02    -0.00   0.01  -0.00
    16   1     0.18  -0.17  -0.08     0.04   0.04  -0.02    -0.02   0.07   0.04
    17   1     0.05  -0.26   0.40    -0.04  -0.07  -0.03    -0.04  -0.26   0.34
    18   1     0.00   0.11   0.33     0.10  -0.15  -0.35     0.03  -0.16  -0.47
    19   1    -0.28   0.02   0.16    -0.29  -0.01  -0.28     0.42  -0.02   0.58
    20   8     0.00  -0.02   0.00    -0.03   0.01  -0.01    -0.00  -0.00   0.00
    21   1     0.01   0.08   0.06    -0.02   0.03  -0.00     0.01   0.02   0.02
    22   1     0.15   0.07  -0.01     0.02   0.02  -0.02     0.07   0.02   0.00
    23   1    -0.10  -0.04   0.19     0.56  -0.07   0.54     0.07   0.02   0.02
    24   1    -0.08   0.04  -0.02    -0.05   0.02  -0.02     0.01  -0.02  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    380.8914               385.3337               406.5894
 Red. masses --      1.2778                 1.5244                 1.7773
 Frc consts  --      0.1092                 0.1334                 0.1731
 IR Inten    --     69.7508               140.9349               115.4456
 RamAct Fr= 1--      1.1705                 0.8164                 2.4860
  Dep-P Fr= 1--      0.6726                 0.5405                 0.7399
  Dep-U Fr= 1--      0.8042                 0.7017                 0.8505
 Alpha2 Fr= 1--      0.0016                 0.0033                 0.0004
 Beta2  Fr= 1--      0.1569                 0.0955                 0.3524
 AlphaG Fr= 1--     -0.0009                -0.0051                 0.0002
 Gamma2 Fr= 1--     -0.0967                 0.0119                -0.4062
 Delta2 Fr= 1--      0.0621                -0.1345                -0.3797
 Raman1 Fr= 1--       4.682                  3.265                  9.944
 ROA1   Fr= 1--      -7.298                 -3.164                -51.149
 CID1   Fr= 1--      -1.559                 -0.969                 -5.144
 Raman2 Fr= 1--       1.883                  1.146                  4.229
 ROA2   Fr= 1--      -2.818                  1.361                 -6.712
 CID2   Fr= 1--      -1.497                  1.188                 -1.587
 Raman3 Fr= 1--       3.765                  2.291                  8.458
 ROA3   Fr= 1--      -7.298                 -3.164                -51.149
 CID3   Fr= 1--      -1.938                 -1.381                 -6.048
 RC180  Fr= 1--       0.608                  0.403                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.01     0.00  -0.00   0.04     0.04   0.03  -0.00
     2   6    -0.01   0.02   0.02     0.02   0.01   0.04     0.06  -0.02  -0.03
     3   6    -0.02  -0.03   0.01    -0.00  -0.02   0.02     0.01   0.06   0.03
     4   6    -0.00  -0.01  -0.00     0.02  -0.02  -0.01    -0.07   0.02   0.04
     5   8     0.01  -0.01  -0.01     0.04  -0.04  -0.01    -0.04  -0.02   0.01
     6   6     0.02   0.03   0.02     0.03   0.03   0.02    -0.01  -0.06  -0.02
     7   8     0.02   0.07  -0.03    -0.02   0.02  -0.01     0.05   0.05  -0.02
     8   1    -0.04  -0.01   0.01     0.02  -0.03   0.04     0.06   0.04  -0.01
     9   8    -0.01  -0.03  -0.05     0.04  -0.06  -0.07     0.06  -0.03  -0.01
    10   1    -0.05   0.03   0.03    -0.03   0.01   0.04     0.08  -0.04  -0.04
    11   1    -0.03  -0.03   0.01     0.05  -0.02   0.01     0.03   0.09   0.02
    12   8     0.00  -0.04   0.02    -0.07  -0.00  -0.02    -0.01   0.08  -0.02
    13   6    -0.00  -0.01  -0.00     0.02  -0.01  -0.01    -0.09  -0.02   0.01
    14   1    -0.00   0.00  -0.00    -0.00  -0.01  -0.00    -0.09   0.03   0.04
    15   8     0.04   0.02  -0.01    -0.05   0.07  -0.03    -0.03  -0.07  -0.00
    16   1     0.00   0.07   0.02     0.03   0.09   0.02    -0.02  -0.09  -0.03
    17   1    -0.08  -0.43   0.73    -0.01   0.06  -0.14     0.03  -0.05   0.17
    18   1    -0.04   0.07   0.19    -0.09   0.33   0.74     0.06   0.01   0.09
    19   1    -0.27  -0.02  -0.34     0.25  -0.02   0.37     0.10   0.07   0.15
    20   8    -0.00   0.00   0.00    -0.01   0.00  -0.01    -0.04   0.03   0.01
    21   1     0.01  -0.02  -0.01     0.02  -0.02  -0.02    -0.07  -0.05  -0.03
    22   1    -0.02  -0.02   0.01     0.01  -0.02  -0.00    -0.13  -0.04   0.02
    23   1    -0.00   0.05  -0.08     0.14   0.02   0.14     0.09  -0.09   0.09
    24   1     0.01  -0.01   0.00    -0.10   0.08  -0.00     0.61  -0.61  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    420.6217               427.2696               455.6707
 Red. masses --      2.1974                 3.7149                 5.1156
 Frc consts  --      0.2291                 0.3996                 0.6258
 IR Inten    --     50.4607                19.3997                14.0742
 RamAct Fr= 1--      2.2137                 2.0547                 2.9576
  Dep-P Fr= 1--      0.6957                 0.5846                 0.0640
  Dep-U Fr= 1--      0.8206                 0.7379                 0.1203
 Alpha2 Fr= 1--      0.0021                 0.0064                 0.0565
 Beta2  Fr= 1--      0.3028                 0.2527                 0.0593
 AlphaG Fr= 1--      0.0025                 0.0008                -0.0155
 Gamma2 Fr= 1--     -0.7953                 0.4686                -0.0514
 Delta2 Fr= 1--     -0.2742                 0.3763                 0.0310
 Raman1 Fr= 1--       8.855                  8.219                 11.831
 ROA1   Fr= 1--     -85.121                 57.024                 -3.945
 CID1   Fr= 1--      -9.613                  6.938                 -0.333
 Raman2 Fr= 1--       3.633                  3.032                  0.711
 ROA2   Fr= 1--     -16.893                  8.235                 -1.482
 CID2   Fr= 1--      -4.650                  2.716                 -2.083
 Raman3 Fr= 1--       7.266                  6.065                  1.423
 ROA3   Fr= 1--     -85.121                 57.024                 -3.945
 CID3   Fr= 1--     -11.715                  9.403                 -2.773
 RC180  Fr= 1--       0.641                  0.476                 -0.759
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.03   0.03     0.06  -0.12   0.05     0.07  -0.10   0.03
     2   6    -0.01  -0.06  -0.03    -0.09  -0.04   0.11    -0.04  -0.02  -0.15
     3   6     0.05   0.07   0.09     0.14   0.01  -0.04     0.03  -0.08   0.22
     4   6    -0.01   0.08   0.07     0.07   0.04  -0.09     0.01   0.07   0.10
     5   8    -0.05   0.03  -0.03    -0.06   0.15   0.00     0.01   0.13   0.05
     6   6    -0.07  -0.07  -0.04    -0.10   0.08   0.07     0.06   0.07  -0.16
     7   8     0.10   0.01  -0.05    -0.01  -0.13  -0.03     0.07  -0.10  -0.06
     8   1     0.14  -0.06   0.01     0.03  -0.20   0.03     0.34  -0.07  -0.02
     9   8    -0.02  -0.06  -0.00    -0.10  -0.10  -0.05    -0.09   0.00   0.07
    10   1    -0.01  -0.13  -0.04    -0.20  -0.01   0.12     0.03  -0.21  -0.18
    11   1     0.07   0.18   0.09     0.22  -0.05  -0.06     0.07   0.02   0.21
    12   8     0.03   0.04  -0.04     0.14   0.07   0.00    -0.13  -0.18  -0.06
    13   6    -0.02   0.06   0.00     0.07   0.01  -0.00    -0.03  -0.00  -0.05
    14   1    -0.02   0.17   0.09     0.09   0.01  -0.09    -0.09   0.24   0.12
    15   8    -0.09  -0.06   0.01    -0.08   0.03  -0.01     0.12   0.19   0.05
    16   1    -0.09  -0.13  -0.04    -0.15   0.17   0.09     0.16  -0.09  -0.19
    17   1     0.06  -0.14   0.25     0.00  -0.16  -0.12     0.08  -0.09  -0.06
    18   1    -0.02  -0.02   0.08    -0.12   0.01   0.21    -0.00  -0.05   0.06
    19   1     0.15   0.07   0.01    -0.09   0.05  -0.21     0.10  -0.12   0.05
    20   8     0.05  -0.02  -0.02    -0.04   0.03   0.02    -0.10   0.04  -0.04
    21   1    -0.04   0.08   0.01     0.07   0.04   0.06     0.05  -0.07  -0.08
    22   1    -0.04   0.09  -0.05     0.17   0.03   0.02    -0.13  -0.05  -0.03
    23   1     0.01  -0.11   0.14     0.08   0.04   0.06    -0.24   0.11  -0.02
    24   1    -0.52   0.54   0.13     0.39  -0.43  -0.16     0.20  -0.26  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    517.5716               567.8895               593.2295
 Red. masses --      5.2230                 3.2338                 3.8922
 Frc consts  --      0.8243                 0.6145                 0.8070
 IR Inten    --     34.8829                 3.8377                27.3312
 RamAct Fr= 1--     10.7447                 0.9811                 0.2455
  Dep-P Fr= 1--      0.1063                 0.2959                 0.6393
  Dep-U Fr= 1--      0.1921                 0.4566                 0.7800
 Alpha2 Fr= 1--      0.1853                 0.0102                 0.0005
 Beta2  Fr= 1--      0.3440                 0.0747                 0.0319
 AlphaG Fr= 1--      0.0123                 0.0040                -0.0002
 Gamma2 Fr= 1--      0.1927                 0.1151                 0.1013
 Delta2 Fr= 1--     -0.0347                 0.1075                -0.0079
 Raman1 Fr= 1--      42.979                  3.925                  0.982
 ROA1   Fr= 1--      17.388                 14.491                  9.470
 CID1   Fr= 1--       0.405                  3.692                  9.644
 Raman2 Fr= 1--       4.128                  0.896                  0.383
 ROA2   Fr= 1--       4.903                  1.902                  2.494
 CID2   Fr= 1--       1.187                  2.123                  6.512
 Raman3 Fr= 1--       8.257                  1.792                  0.766
 ROA3   Fr= 1--      17.388                 14.491                  9.470
 CID3   Fr= 1--       2.106                  8.086                 12.364
 RC180  Fr= 1--      -0.616                 -0.087                  0.560
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.14    -0.13  -0.06  -0.05    -0.08  -0.05   0.16
     2   6    -0.12  -0.03  -0.11    -0.04  -0.07   0.06     0.04  -0.18   0.03
     3   6     0.12  -0.00   0.05    -0.13   0.07  -0.00    -0.05  -0.04  -0.11
     4   6     0.14  -0.07  -0.05     0.06   0.18   0.05    -0.02   0.03  -0.14
     5   8     0.12  -0.11   0.03     0.17   0.00  -0.04    -0.05   0.18   0.06
     6   6     0.05  -0.13  -0.08     0.10  -0.06   0.07     0.01  -0.06  -0.16
     7   8    -0.10   0.22   0.01     0.07  -0.05  -0.01    -0.02   0.14  -0.02
     8   1     0.14   0.14   0.13    -0.30  -0.13  -0.03    -0.29  -0.15   0.18
     9   8    -0.21   0.04   0.06    -0.02   0.06  -0.00     0.14   0.01  -0.01
    10   1    -0.15  -0.23  -0.13    -0.08  -0.03   0.07     0.03  -0.58  -0.02
    11   1     0.29  -0.03   0.01    -0.31   0.17   0.04     0.05  -0.23  -0.13
    12   8     0.01   0.07  -0.03     0.05  -0.05   0.00     0.02  -0.06   0.03
    13   6     0.19  -0.05  -0.06     0.02  -0.01  -0.01    -0.02   0.01   0.04
    14   1     0.04  -0.09  -0.04     0.05   0.25   0.05     0.06  -0.10  -0.16
    15   8    -0.07  -0.05   0.02    -0.13  -0.00  -0.02    -0.02   0.04   0.04
    16   1     0.19  -0.30  -0.11     0.13  -0.04   0.07     0.06  -0.17  -0.17
    17   1    -0.12   0.04   0.04     0.08   0.14   0.10    -0.03   0.12   0.02
    18   1    -0.15  -0.04  -0.05    -0.16   0.13  -0.07    -0.07   0.13  -0.03
    19   1    -0.03   0.04   0.00     0.15   0.05  -0.12     0.00  -0.05  -0.01
    20   8    -0.08   0.04  -0.02    -0.03   0.00  -0.01     0.05  -0.02   0.04
    21   1     0.21  -0.04  -0.01     0.29  -0.24  -0.11     0.01  -0.01   0.05
    22   1     0.27  -0.07   0.01    -0.31  -0.17   0.04    -0.02  -0.00   0.05
    23   1    -0.15  -0.15   0.13    -0.06  -0.08   0.15    -0.16  -0.10   0.17
    24   1     0.04  -0.14  -0.19     0.11  -0.17  -0.11     0.04   0.01   0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --    630.5132               719.2839               910.3776
 Red. masses --      5.1667                 3.9538                 3.1282
 Frc consts  --      1.2102                 1.2052                 1.5275
 IR Inten    --     32.8417                 2.2993                32.6236
 RamAct Fr= 1--      0.0415                 0.6280                 4.4293
  Dep-P Fr= 1--      0.5703                 0.4018                 0.3069
  Dep-U Fr= 1--      0.7263                 0.5733                 0.4697
 Alpha2 Fr= 1--      0.0001                 0.0046                 0.0445
 Beta2  Fr= 1--      0.0050                 0.0600                 0.3468
 AlphaG Fr= 1--      0.0001                 0.0042                -0.0357
 Gamma2 Fr= 1--      0.0278                 0.1564                -0.2125
 Delta2 Fr= 1--      0.0344                 0.0367                -0.5265
 Raman1 Fr= 1--       0.166                  2.512                 17.717
 ROA1   Fr= 1--       3.769                 16.188                -37.252
 CID1   Fr= 1--      22.679                  6.445                 -2.103
 Raman2 Fr= 1--       0.060                  0.720                  4.161
 ROA2   Fr= 1--       0.392                  3.460                 -0.889
 CID2   Fr= 1--       6.496                  4.806                 -0.214
 Raman3 Fr= 1--       0.121                  1.440                  8.322
 ROA3   Fr= 1--       3.769                 16.188                -37.252
 CID3   Fr= 1--      31.224                 11.242                 -4.476
 RC180  Fr= 1--       0.453                  0.147                 -0.061
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.10  -0.09    -0.12  -0.03  -0.04    -0.00  -0.03  -0.04
     2   6     0.07   0.11  -0.06     0.01  -0.06   0.05    -0.00  -0.02   0.02
     3   6    -0.01  -0.08   0.07    -0.07   0.07   0.02     0.08  -0.07  -0.07
     4   6     0.11   0.11  -0.06     0.11  -0.08   0.19     0.16  -0.08   0.18
     5   8    -0.04   0.21   0.00    -0.15  -0.05   0.02     0.05   0.11  -0.05
     6   6    -0.10  -0.03   0.09    -0.12   0.05  -0.09     0.05  -0.00   0.01
     7   8    -0.05   0.06   0.05     0.01   0.01   0.01    -0.03   0.06   0.04
     8   1     0.20   0.26  -0.09    -0.32  -0.09  -0.01    -0.12   0.01  -0.01
     9   8     0.11  -0.04  -0.00     0.11  -0.01  -0.02    -0.00   0.00  -0.00
    10   1     0.18   0.36  -0.03     0.08  -0.18   0.02    -0.01   0.02   0.02
    11   1    -0.05  -0.17   0.08    -0.31   0.32   0.08    -0.05   0.06  -0.03
    12   8    -0.14  -0.18   0.01     0.03   0.03   0.00    -0.00  -0.00   0.00
    13   6     0.18  -0.01  -0.02     0.25  -0.06  -0.07    -0.16  -0.06   0.09
    14   1     0.11   0.19  -0.05     0.05  -0.04   0.20     0.62  -0.04   0.13
    15   8    -0.14  -0.20  -0.01     0.07   0.03   0.03    -0.04  -0.03   0.00
    16   1    -0.19  -0.09   0.10    -0.20   0.08  -0.08     0.02  -0.02   0.01
    17   1    -0.05  -0.02  -0.01     0.02   0.15   0.10    -0.04  -0.00  -0.00
    18   1     0.21  -0.08   0.05    -0.02   0.06  -0.04    -0.05   0.02  -0.01
    19   1    -0.07  -0.13  -0.04     0.08   0.07  -0.04    -0.14  -0.12   0.13
    20   8    -0.03   0.02   0.00    -0.09   0.05  -0.07    -0.04   0.03  -0.15
    21   1     0.32  -0.10  -0.01     0.16   0.02  -0.06    -0.49   0.18   0.06
    22   1     0.11  -0.08   0.03     0.36  -0.03  -0.07     0.01   0.14  -0.14
    23   1     0.10  -0.10  -0.04     0.02   0.06  -0.04    -0.04  -0.07   0.06
    24   1     0.01  -0.08  -0.15    -0.07  -0.04  -0.27     0.07   0.06   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    922.4700              1014.3746              1023.7932
 Red. masses --      1.9912                 3.8960                 3.9067
 Frc consts  --      0.9983                 2.3619                 2.4126
 IR Inten    --      5.4616                99.1692                52.4279
 RamAct Fr= 1--      2.2711                 0.5179                 1.4056
  Dep-P Fr= 1--      0.2740                 0.2136                 0.2291
  Dep-U Fr= 1--      0.4301                 0.3520                 0.3728
 Alpha2 Fr= 1--      0.0251                 0.0068                 0.0176
 Beta2  Fr= 1--      0.1628                 0.0304                 0.0873
 AlphaG Fr= 1--     -0.0277                 0.0082                -0.0224
 Gamma2 Fr= 1--     -0.1297                 0.4770                 0.4901
 Delta2 Fr= 1--      0.2762                 0.6003                 0.4251
 Raman1 Fr= 1--       9.085                  2.072                  5.623
 ROA1   Fr= 1--      -3.611                 65.000                 60.648
 CID1   Fr= 1--      -0.397                 31.374                 10.787
 Raman2 Fr= 1--       1.954                  0.365                  1.048
 ROA2   Fr= 1--      -5.322                  6.646                  8.361
 CID2   Fr= 1--      -2.724                 18.226                  7.977
 Raman3 Fr= 1--       3.907                  0.729                  2.096
 ROA3   Fr= 1--      -3.611                 65.000                 60.648
 CID3   Fr= 1--      -0.924                 89.135                 28.932
 RC180  Fr= 1--      -0.140                 -0.296                 -0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.03     0.07   0.10   0.20     0.23   0.05  -0.16
     2   6    -0.01  -0.02  -0.01     0.12   0.17   0.08     0.11  -0.16   0.17
     3   6    -0.02   0.07   0.11    -0.13   0.15  -0.09     0.01   0.09  -0.11
     4   6    -0.05  -0.08  -0.07     0.02  -0.02  -0.01    -0.08  -0.02   0.06
     5   8     0.02   0.08  -0.04    -0.01   0.00   0.01     0.00   0.04  -0.03
     6   6     0.09  -0.02   0.04     0.06   0.01  -0.14    -0.01  -0.08  -0.01
     7   8     0.01  -0.02  -0.01     0.05  -0.11  -0.07    -0.01   0.09   0.08
     8   1    -0.01  -0.01  -0.04    -0.09  -0.10   0.18     0.08   0.11  -0.12
     9   8     0.01   0.01   0.00    -0.11   0.02  -0.04    -0.13  -0.01  -0.03
    10   1     0.00   0.06   0.00    -0.07  -0.04   0.07     0.06  -0.15   0.16
    11   1    -0.06   0.14   0.12    -0.16   0.10  -0.07    -0.29   0.17  -0.04
    12   8    -0.00   0.01  -0.00    -0.05  -0.06   0.06    -0.06  -0.08   0.05
    13   6     0.01  -0.15  -0.06     0.03  -0.05   0.07     0.04  -0.01  -0.07
    14   1    -0.23   0.10  -0.05     0.20  -0.23  -0.05    -0.23   0.01   0.07
    15   8    -0.02  -0.00  -0.01    -0.02  -0.08   0.03     0.03   0.07  -0.03
    16   1     0.10  -0.02   0.04     0.05  -0.06  -0.13    -0.05   0.11   0.02
    17   1     0.02   0.12   0.08     0.05  -0.28  -0.21    -0.03  -0.39  -0.28
    18   1    -0.04   0.03  -0.01     0.36  -0.20   0.17    -0.38   0.10  -0.14
    19   1     0.13   0.11  -0.11     0.22   0.16  -0.20    -0.04  -0.07   0.05
    20   8     0.01   0.01   0.04    -0.02   0.02  -0.08     0.00  -0.00   0.06
    21   1    -0.38   0.23   0.23    -0.03   0.01   0.12     0.01   0.02  -0.06
    22   1     0.61   0.12  -0.13     0.12   0.02  -0.00     0.08  -0.01  -0.04
    23   1    -0.04  -0.04   0.04    -0.11  -0.18   0.13    -0.14  -0.11   0.16
    24   1     0.07   0.05   0.27     0.04   0.02   0.06    -0.04  -0.02  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1039.1561              1064.6092              1075.0355
 Red. masses --      2.8629                 4.2173                 4.6457
 Frc consts  --      1.8215                 2.8162                 3.1634
 IR Inten    --     32.9089                13.7859               150.9676
 RamAct Fr= 1--      0.6051                 9.3322                 2.0897
  Dep-P Fr= 1--      0.6123                 0.1285                 0.7175
  Dep-U Fr= 1--      0.7595                 0.2277                 0.8355
 Alpha2 Fr= 1--      0.0015                 0.1523                 0.0012
 Beta2  Fr= 1--      0.0766                 0.3541                 0.2910
 AlphaG Fr= 1--      0.0074                 0.0732                -0.0058
 Gamma2 Fr= 1--      0.7812                -0.8581                -1.4767
 Delta2 Fr= 1--      0.4573                -0.5227                -0.4945
 Raman1 Fr= 1--       2.420                 37.329                  8.359
 ROA1   Fr= 1--      89.627                -99.105               -157.592
 CID1   Fr= 1--      37.029                 -2.655                -18.853
 Raman2 Fr= 1--       0.919                  4.250                  3.492
 ROA2   Fr= 1--      15.090                -16.413                -31.485
 CID2   Fr= 1--      16.416                 -3.862                 -9.016
 Raman3 Fr= 1--       1.838                  8.499                  6.984
 ROA3   Fr= 1--      89.627                -99.105               -157.592
 CID3   Fr= 1--      48.752                -11.660                -22.565
 RC180  Fr= 1--       0.519                 -0.545                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01   0.01     0.07  -0.01   0.15     0.01   0.05   0.08
     2   6    -0.00   0.15   0.09    -0.01  -0.09  -0.21    -0.01   0.01  -0.07
     3   6     0.06  -0.12  -0.03    -0.12  -0.02  -0.11    -0.02   0.06  -0.05
     4   6    -0.09  -0.06   0.14    -0.12  -0.09   0.14     0.02  -0.12   0.07
     5   8     0.01   0.09  -0.05    -0.08   0.09  -0.13     0.28   0.05   0.01
     6   6     0.09  -0.04  -0.11     0.17   0.06   0.22    -0.29   0.10  -0.02
     7   8    -0.01  -0.02  -0.01     0.02   0.01  -0.02     0.02  -0.03  -0.04
     8   1    -0.22  -0.12   0.02     0.12   0.11   0.15    -0.12   0.03   0.10
     9   8    -0.01   0.01  -0.02     0.00   0.01   0.04     0.03  -0.01   0.01
    10   1    -0.03   0.25   0.11    -0.14  -0.23  -0.20     0.01  -0.38  -0.13
    11   1     0.09  -0.02  -0.03    -0.10   0.06  -0.11    -0.10   0.14  -0.03
    12   8     0.04   0.04  -0.03     0.03   0.03   0.00    -0.02  -0.03   0.03
    13   6     0.03   0.05  -0.13     0.11   0.02   0.01    -0.08   0.00  -0.19
    14   1    -0.29   0.07   0.16    -0.11  -0.19   0.12     0.06  -0.09   0.04
    15   8    -0.01  -0.05   0.00    -0.05  -0.01   0.00    -0.03  -0.03   0.04
    16   1     0.12  -0.06  -0.12     0.15  -0.04   0.21    -0.19  -0.05  -0.03
    17   1    -0.01   0.07   0.06     0.01  -0.24  -0.17     0.01  -0.05  -0.03
    18   1     0.21  -0.09   0.08     0.02  -0.01   0.03     0.06  -0.03  -0.01
    19   1    -0.25  -0.20   0.23    -0.06  -0.04   0.06     0.06   0.05  -0.07
    20   8     0.01  -0.02   0.12    -0.01   0.00  -0.00     0.01  -0.02   0.15
    21   1     0.01   0.01  -0.26     0.08  -0.03  -0.20    -0.28   0.11  -0.27
    22   1    -0.08  -0.06  -0.01    -0.02  -0.09   0.10    -0.01  -0.00  -0.12
    23   1    -0.23  -0.29   0.26     0.23   0.23  -0.23     0.27   0.28  -0.29
    24   1    -0.11  -0.04  -0.19    -0.11  -0.01  -0.27    -0.05  -0.06  -0.08
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1085.1387              1100.6041              1112.1240
 Red. masses --      2.7408                 2.3049                 2.6797
 Frc consts  --      1.9015                 1.6450                 1.9527
 IR Inten    --    153.7214               166.8527                81.7796
 RamAct Fr= 1--      2.5293                 0.6824                 6.2559
  Dep-P Fr= 1--      0.5432                 0.5144                 0.7410
  Dep-U Fr= 1--      0.7040                 0.6793                 0.8513
 Alpha2 Fr= 1--      0.0100                 0.0031                 0.0010
 Beta2  Fr= 1--      0.2968                 0.0773                 0.8876
 AlphaG Fr= 1--      0.0056                -0.0032                -0.0009
 Gamma2 Fr= 1--      0.3876                 0.5169                -0.8425
 Delta2 Fr= 1--     -0.0672                 0.0351                -0.4833
 Raman1 Fr= 1--      10.117                  2.729                 25.024
 ROA1   Fr= 1--      35.062                 50.743                -96.341
 CID1   Fr= 1--       3.466                 18.591                 -3.850
 Raman2 Fr= 1--       3.561                  0.927                 10.651
 ROA2   Fr= 1--       9.841                 12.124                -16.353
 CID2   Fr= 1--       2.763                 13.077                 -1.535
 Raman3 Fr= 1--       7.122                  1.854                 21.301
 ROA3   Fr= 1--      35.062                 50.743                -96.341
 CID3   Fr= 1--       4.923                 27.366                 -4.523
 RC180  Fr= 1--       0.408                  0.359                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11   0.03     0.07  -0.03   0.03    -0.09   0.26   0.01
     2   6     0.11   0.02  -0.09    -0.05   0.05  -0.00     0.07  -0.08   0.04
     3   6     0.13   0.05  -0.11    -0.10  -0.12  -0.06     0.10  -0.05  -0.01
     4   6     0.05   0.15   0.03    -0.09   0.09   0.05    -0.05   0.03   0.04
     5   8    -0.07  -0.08   0.02     0.09  -0.00   0.02     0.02  -0.00  -0.00
     6   6     0.04   0.04   0.04    -0.11  -0.03  -0.02     0.01   0.07  -0.01
     7   8    -0.02   0.04   0.01     0.00   0.03   0.02     0.02  -0.11  -0.08
     8   1    -0.40  -0.21   0.08     0.03   0.00   0.04    -0.12   0.29   0.01
     9   8    -0.07   0.03  -0.02     0.03  -0.01   0.01    -0.03  -0.01  -0.01
    10   1     0.08  -0.08  -0.10    -0.10   0.03   0.00     0.16  -0.35  -0.01
    11   1     0.10   0.12  -0.10    -0.18  -0.06  -0.05     0.26  -0.13  -0.04
    12   8    -0.03  -0.07   0.04     0.05   0.05  -0.04    -0.00  -0.01  -0.01
    13   6    -0.02  -0.05  -0.10     0.06  -0.09   0.05     0.03  -0.02   0.05
    14   1    -0.17   0.28   0.07    -0.31   0.30   0.09    -0.18   0.10   0.06
    15   8    -0.01  -0.02   0.02     0.02   0.02  -0.01    -0.03  -0.03   0.03
    16   1    -0.02  -0.03   0.04    -0.05  -0.08  -0.03    -0.00   0.11  -0.00
    17   1    -0.02   0.08   0.04    -0.01  -0.25  -0.16     0.03   0.14   0.09
    18   1     0.25  -0.12   0.12     0.13  -0.06   0.03    -0.38   0.16  -0.14
    19   1    -0.15  -0.18   0.15    -0.15  -0.11   0.14    -0.26  -0.22   0.20
    20   8    -0.00   0.00   0.06    -0.02   0.02  -0.07    -0.01   0.01  -0.05
    21   1    -0.06   0.07   0.18     0.13  -0.01   0.47     0.11  -0.03   0.20
    22   1     0.11   0.13  -0.27     0.17   0.10  -0.19     0.03   0.03  -0.03
    23   1     0.17   0.18  -0.18     0.01   0.02  -0.01     0.08   0.08  -0.09
    24   1     0.07   0.01   0.25     0.14   0.06   0.36     0.05   0.03   0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1121.0793              1127.6325              1154.2106
 Red. masses --      3.4691                 4.2808                 3.6035
 Frc consts  --      2.5688                 3.2071                 2.8284
 IR Inten    --     49.8520                42.6963                33.6949
 RamAct Fr= 1--      7.9188                 6.7280                 2.6362
  Dep-P Fr= 1--      0.7449                 0.3797                 0.4267
  Dep-U Fr= 1--      0.8538                 0.5504                 0.5982
 Alpha2 Fr= 1--      0.0007                 0.0535                 0.0177
 Beta2  Fr= 1--      1.1269                 0.6172                 0.2628
 AlphaG Fr= 1--     -0.0046                 0.0075                 0.0056
 Gamma2 Fr= 1--      0.4807                -1.8960                 1.7005
 Delta2 Fr= 1--     -0.3259                -1.4017                 1.1676
 Raman1 Fr= 1--      31.675                 26.912                 10.545
 ROA1   Fr= 1--      35.719               -226.875                200.612
 CID1   Fr= 1--       1.128                 -8.430                 19.025
 Raman2 Fr= 1--      13.522                  7.407                  3.154
 ROA2   Fr= 1--      14.144                -34.291                 31.471
 CID2   Fr= 1--       1.046                 -4.630                  9.979
 Raman3 Fr= 1--      27.045                 14.813                  6.308
 ROA3   Fr= 1--      35.719               -226.875                200.612
 CID3   Fr= 1--       1.321                -15.316                 31.805
 RC180  Fr= 1--       0.708                  0.101                  0.196
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.10   0.00    -0.02   0.01   0.02     0.05  -0.13  -0.12
     2   6     0.25   0.00  -0.03    -0.21   0.05  -0.03    -0.06   0.01   0.01
     3   6     0.03   0.00   0.07     0.20   0.22  -0.14     0.06   0.05   0.02
     4   6    -0.12  -0.10  -0.01    -0.12  -0.02   0.05    -0.09  -0.06  -0.04
     5   8     0.08   0.08  -0.02     0.04   0.01  -0.04     0.07  -0.00  -0.01
     6   6    -0.12  -0.09   0.06    -0.05  -0.12   0.03     0.08   0.26  -0.13
     7   8    -0.02   0.02   0.01    -0.01  -0.03  -0.03    -0.02   0.06   0.06
     8   1    -0.18  -0.28   0.01    -0.04   0.04   0.01    -0.00  -0.25  -0.13
     9   8    -0.13   0.04  -0.05     0.13  -0.02   0.04     0.02  -0.00   0.00
    10   1     0.34   0.12  -0.03    -0.31   0.26   0.02    -0.04  -0.33  -0.04
    11   1     0.10   0.02   0.05     0.40   0.27  -0.16    -0.11   0.19   0.06
    12   8     0.01   0.02  -0.01    -0.08  -0.13   0.10    -0.01  -0.02   0.01
    13   6     0.05   0.02   0.14     0.05  -0.01   0.09     0.02   0.03   0.10
    14   1    -0.14  -0.10  -0.01    -0.20  -0.17   0.04    -0.45  -0.14  -0.01
    15   8     0.02   0.06  -0.03     0.04   0.07  -0.05    -0.08  -0.15   0.11
    16   1    -0.15  -0.16   0.06     0.06  -0.20   0.00     0.14   0.37  -0.12
    17   1    -0.01   0.37   0.25     0.00   0.18   0.16    -0.03   0.03   0.02
    18   1     0.19  -0.13   0.07     0.04   0.02  -0.01     0.03   0.00   0.04
    19   1    -0.01  -0.01   0.03    -0.06  -0.11   0.05     0.01  -0.00   0.01
    20   8     0.00   0.00  -0.09    -0.00   0.01  -0.06     0.00  -0.01  -0.07
    21   1     0.13  -0.09  -0.01     0.13  -0.06   0.10     0.21  -0.10   0.11
    22   1    -0.01  -0.11   0.29     0.07  -0.04   0.13    -0.02  -0.07   0.22
    23   1     0.13   0.14  -0.10    -0.13  -0.12   0.15     0.07   0.03  -0.10
    24   1    -0.04   0.02  -0.15     0.01   0.00  -0.06     0.03   0.02   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1206.0550              1240.4314              1245.9996
 Red. masses --      1.2567                 1.2165                 1.1459
 Frc consts  --      1.0770                 1.1028                 1.0481
 IR Inten    --      5.9616                47.7260                28.3942
 RamAct Fr= 1--      1.8176                 1.8236                 2.4972
  Dep-P Fr= 1--      0.0816                 0.6352                 0.7310
  Dep-U Fr= 1--      0.1509                 0.7769                 0.8446
 Alpha2 Fr= 1--      0.0333                 0.0038                 0.0008
 Beta2  Fr= 1--      0.0457                 0.2361                 0.3515
 AlphaG Fr= 1--     -0.0069                -0.0140                 0.0053
 Gamma2 Fr= 1--     -0.1888                 0.6955                 0.2312
 Delta2 Fr= 1--     -0.1047                -0.2641                 0.2510
 Raman1 Fr= 1--       7.270                  7.294                  9.989
 ROA1   Fr= 1--     -21.476                 58.314                 30.228
 CID1   Fr= 1--      -2.954                  7.994                  3.026
 Raman2 Fr= 1--       0.549                  2.834                  4.218
 ROA2   Fr= 1--      -3.694                 18.804                  3.540
 CID2   Fr= 1--      -6.732                  6.636                  0.839
 Raman3 Fr= 1--       1.097                  5.667                  8.436
 ROA3   Fr= 1--     -21.476                 58.314                 30.228
 CID3   Fr= 1--     -19.571                 10.290                  3.583
 RC180  Fr= 1--      -0.698                  0.554                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.03    -0.02  -0.04   0.07     0.01   0.02   0.01
     2   6     0.03  -0.04  -0.02     0.01  -0.01  -0.03     0.02  -0.05  -0.04
     3   6    -0.05   0.02  -0.04    -0.01   0.00  -0.03    -0.02  -0.00  -0.01
     4   6    -0.02   0.01   0.06    -0.00   0.03  -0.02     0.01   0.01  -0.03
     5   8     0.02   0.01  -0.01     0.01  -0.02   0.02     0.01  -0.01   0.02
     6   6     0.00   0.03  -0.03    -0.01   0.03  -0.04    -0.02   0.01   0.03
     7   8    -0.01   0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.01  -0.01
     8   1     0.45   0.05  -0.04    -0.04   0.17   0.10     0.18   0.08  -0.02
     9   8    -0.01  -0.00  -0.00     0.00  -0.02   0.01    -0.01   0.03  -0.00
    10   1     0.22   0.32   0.00     0.31   0.44  -0.02    -0.26  -0.17  -0.02
    11   1     0.27  -0.18  -0.12     0.01   0.21  -0.02    -0.11   0.19   0.02
    12   8    -0.00  -0.00   0.01     0.01  -0.01   0.01     0.02  -0.01  -0.01
    13   6     0.02  -0.01  -0.05    -0.01  -0.03   0.04    -0.01  -0.01   0.01
    14   1     0.04  -0.30   0.03    -0.06   0.28   0.00     0.02   0.11  -0.02
    15   8    -0.00  -0.02   0.01    -0.00  -0.02   0.01     0.02  -0.01  -0.02
    16   1    -0.12   0.29   0.01     0.01   0.19  -0.03    -0.16   0.48   0.08
    17   1    -0.00   0.22   0.16     0.00  -0.18  -0.12    -0.00   0.21   0.15
    18   1    -0.15   0.06  -0.06    -0.32   0.13  -0.13     0.34  -0.14   0.14
    19   1     0.09   0.08  -0.09    -0.07  -0.07   0.07    -0.17  -0.15   0.15
    20   8    -0.01   0.01   0.01     0.01  -0.00  -0.01     0.01  -0.00  -0.00
    21   1     0.12  -0.02   0.16    -0.23   0.06  -0.19    -0.09   0.02  -0.07
    22   1    -0.10   0.08  -0.24     0.20  -0.09   0.25     0.07  -0.03   0.08
    23   1    -0.09  -0.10   0.10    -0.03  -0.04   0.03    -0.23  -0.27   0.26
    24   1     0.06   0.02   0.20    -0.09  -0.02  -0.27    -0.03  -0.01  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1251.0780              1259.0050              1326.4334
 Red. masses --      1.2673                 1.2026                 1.1970
 Frc consts  --      1.1687                 1.1231                 1.2408
 IR Inten    --     31.7783                15.0240                22.1333
 RamAct Fr= 1--      2.9446                 4.6679                 2.6586
  Dep-P Fr= 1--      0.7500                 0.7482                 0.3242
  Dep-U Fr= 1--      0.8571                 0.8559                 0.4896
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0253
 Beta2  Fr= 1--      0.4207                 0.6659                 0.2170
 AlphaG Fr= 1--      0.0000                -0.0029                -0.0266
 Gamma2 Fr= 1--      0.0288                -0.0051                -0.5091
 Delta2 Fr= 1--      0.4418                -0.3509                -0.0787
 Raman1 Fr= 1--      11.778                 18.672                 10.634
 ROA1   Fr= 1--      16.903                -11.713                -51.389
 CID1   Fr= 1--       1.435                 -0.627                 -4.832
 Raman2 Fr= 1--       5.048                  7.991                  2.603
 ROA2   Fr= 1--      -2.842                  2.686                -11.588
 CID2   Fr= 1--      -0.563                  0.336                 -4.451
 Raman3 Fr= 1--      10.096                 15.982                  5.207
 ROA3   Fr= 1--      16.903                -11.713                -51.389
 CID3   Fr= 1--       1.674                 -0.733                 -9.870
 RC180  Fr= 1--       0.714                  0.712                 -0.021
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.03     0.00  -0.01   0.04     0.03   0.00   0.00
     2   6    -0.01   0.03   0.07    -0.00   0.02   0.02    -0.00   0.03  -0.02
     3   6    -0.05   0.01  -0.05    -0.02   0.01  -0.00     0.00  -0.00  -0.02
     4   6    -0.03   0.06   0.01     0.04  -0.06  -0.06    -0.06  -0.06  -0.01
     5   8    -0.00  -0.02   0.01    -0.02   0.01   0.00    -0.01  -0.01   0.00
     6   6     0.01   0.00  -0.02     0.01  -0.02  -0.01    -0.05   0.02   0.05
     7   8    -0.02  -0.01   0.01    -0.01  -0.01  -0.01    -0.01  -0.00   0.00
     8   1     0.52  -0.14  -0.14     0.26   0.03   0.00    -0.07  -0.14  -0.00
     9   8    -0.00   0.00  -0.01    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    10   1     0.02  -0.21   0.04     0.11   0.07   0.02     0.22  -0.14  -0.06
    11   1     0.12  -0.05  -0.09    -0.22   0.63   0.07     0.05   0.02  -0.03
    12   8     0.01  -0.01   0.00     0.03  -0.01  -0.00    -0.01   0.00   0.01
    13   6     0.02  -0.05   0.02    -0.02   0.05  -0.03     0.02   0.01  -0.01
    14   1     0.14   0.14  -0.00     0.04  -0.03  -0.06     0.38   0.50  -0.02
    15   8    -0.01   0.00   0.01    -0.01   0.01   0.00     0.02  -0.01  -0.01
    16   1     0.14  -0.28  -0.06     0.02  -0.20  -0.02     0.55   0.12  -0.02
    17   1    -0.01   0.29   0.21    -0.00   0.11   0.08    -0.00   0.08   0.06
    18   1     0.02  -0.01   0.02    -0.13   0.05  -0.05    -0.09   0.04  -0.03
    19   1    -0.08  -0.07   0.06    -0.26  -0.24   0.24     0.09   0.08  -0.08
    20   8     0.01   0.01   0.01    -0.01  -0.01   0.00    -0.00   0.01   0.01
    21   1    -0.25   0.09  -0.16     0.21  -0.08   0.11     0.13  -0.04   0.08
    22   1     0.18  -0.04   0.09    -0.14   0.04  -0.08    -0.11   0.04  -0.15
    23   1     0.16   0.18  -0.17     0.07   0.09  -0.08    -0.14  -0.16   0.14
    24   1    -0.10  -0.02  -0.28     0.09   0.00   0.23     0.01   0.00   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1332.9666              1346.3991              1353.3473
 Red. masses --      1.3562                 1.2940                 1.2787
 Frc consts  --      1.4198                 1.3821                 1.3799
 IR Inten    --     38.2173                30.8310                51.4767
 RamAct Fr= 1--      3.4452                 2.4697                 1.5161
  Dep-P Fr= 1--      0.7416                 0.7310                 0.5656
  Dep-U Fr= 1--      0.8516                 0.8446                 0.7226
 Alpha2 Fr= 1--      0.0005                 0.0008                 0.0053
 Beta2  Fr= 1--      0.4890                 0.3477                 0.1826
 AlphaG Fr= 1--      0.0019                 0.0044                 0.0031
 Gamma2 Fr= 1--      1.4534                 0.1623                -0.7216
 Delta2 Fr= 1--     -0.3271                -0.5272                 0.1451
 Raman1 Fr= 1--      13.781                  9.879                  6.065
 ROA1   Fr= 1--     129.057                 -1.295                -64.633
 CID1   Fr= 1--       9.365                 -0.131                -10.657
 Raman2 Fr= 1--       5.868                  4.172                  2.191
 ROA2   Fr= 1--      37.499                  8.112                -18.479
 CID2   Fr= 1--       6.390                  1.944                 -8.434
 Raman3 Fr= 1--      11.736                  8.344                  4.382
 ROA3   Fr= 1--     129.057                 -1.295                -64.633
 CID3   Fr= 1--      10.997                 -0.155                -14.750
 RC180  Fr= 1--       0.703                  0.689                  0.445
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.03    -0.04  -0.02  -0.01    -0.09  -0.02  -0.05
     2   6     0.00  -0.01  -0.02    -0.04   0.10   0.00    -0.01  -0.05   0.05
     3   6    -0.02   0.05   0.08    -0.01  -0.01   0.01    -0.04   0.00   0.00
     4   6    -0.09   0.05  -0.03     0.03   0.04   0.00    -0.01  -0.04   0.01
     5   8     0.01  -0.01   0.00     0.00  -0.00  -0.02     0.00   0.01   0.00
     6   6    -0.01   0.01  -0.01    -0.01   0.01   0.07     0.00  -0.01  -0.01
     7   8     0.02   0.01   0.02     0.01   0.01   0.01     0.03   0.02   0.01
     8   1    -0.20  -0.15  -0.01     0.09  -0.04  -0.03     0.14   0.38  -0.03
     9   8     0.00   0.00   0.00     0.00  -0.01  -0.02    -0.01   0.04  -0.02
    10   1    -0.07   0.09   0.00     0.55  -0.52  -0.14     0.07  -0.06   0.04
    11   1     0.18   0.06   0.04     0.08   0.11  -0.00     0.54   0.21  -0.11
    12   8     0.03  -0.01  -0.03     0.01  -0.00   0.00     0.00  -0.00   0.02
    13   6     0.04  -0.05   0.00    -0.01  -0.02   0.01    -0.00   0.03  -0.02
    14   1     0.49  -0.38  -0.12    -0.18  -0.31  -0.00     0.09   0.19   0.01
    15   8    -0.00  -0.00   0.01     0.02  -0.00  -0.04    -0.01   0.00   0.01
    16   1     0.06   0.10  -0.02    -0.11  -0.07   0.08     0.05   0.00  -0.01
    17   1     0.01  -0.22  -0.14     0.00  -0.17  -0.12     0.01  -0.33  -0.22
    18   1     0.01  -0.01   0.00    -0.08   0.03  -0.03     0.38  -0.15   0.14
    19   1    -0.29  -0.26   0.25    -0.02  -0.02   0.02     0.02   0.02  -0.02
    20   8     0.01   0.02   0.02     0.01   0.00   0.00    -0.01  -0.01  -0.01
    21   1    -0.03   0.02   0.07    -0.06   0.02   0.01     0.07  -0.03  -0.02
    22   1    -0.08   0.08  -0.27     0.02   0.00   0.00     0.05  -0.04   0.10
    23   1     0.02   0.02  -0.02    -0.20  -0.23   0.21     0.07   0.08  -0.07
    24   1    -0.08  -0.01  -0.22    -0.02  -0.00  -0.07     0.05   0.01   0.14
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1365.3787              1383.6440              1393.5615
 Red. masses --      1.2035                 1.2568                 1.3646
 Frc consts  --      1.3220                 1.4176                 1.5613
 IR Inten    --      2.8207                14.8089                 5.8365
 RamAct Fr= 1--      0.5354                 1.5243                 3.6402
  Dep-P Fr= 1--      0.6064                 0.7176                 0.5910
  Dep-U Fr= 1--      0.7550                 0.8356                 0.7429
 Alpha2 Fr= 1--      0.0014                 0.0009                 0.0108
 Beta2  Fr= 1--      0.0674                 0.2123                 0.4507
 AlphaG Fr= 1--      0.0021                -0.0078                -0.0162
 Gamma2 Fr= 1--     -0.0739                 0.3477                 0.5888
 Delta2 Fr= 1--     -0.1772                 0.7955                 0.0970
 Raman1 Fr= 1--       2.142                  6.097                 14.561
 ROA1   Fr= 1--     -12.760                 58.839                 59.626
 CID1   Fr= 1--      -5.958                  9.650                  4.095
 Raman2 Fr= 1--       0.808                  2.548                  5.409
 ROA2   Fr= 1--      -0.355                  1.982                 13.355
 CID2   Fr= 1--      -0.439                  0.778                  2.469
 Raman3 Fr= 1--       1.617                  5.095                 10.817
 ROA3   Fr= 1--     -12.760                 58.839                 59.626
 CID3   Fr= 1--      -7.892                 11.548                  5.512
 RC180  Fr= 1--       0.510                  0.671                  0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02     0.02   0.01   0.01    -0.01   0.06  -0.01
     2   6    -0.02  -0.04   0.05    -0.01  -0.02   0.00     0.03  -0.04  -0.01
     3   6     0.06  -0.00   0.00    -0.03   0.05   0.02    -0.05  -0.04   0.00
     4   6     0.00   0.03  -0.01     0.02   0.04   0.03     0.11   0.01  -0.01
     5   8    -0.01  -0.00  -0.02    -0.01  -0.00  -0.02    -0.01   0.01  -0.03
     6   6    -0.03  -0.00   0.00    -0.05   0.00   0.02    -0.07  -0.00   0.01
     7   8    -0.01  -0.00  -0.03    -0.00  -0.00  -0.00     0.01   0.00   0.01
     8   1     0.02   0.56   0.11    -0.05  -0.07   0.01     0.02  -0.36  -0.08
     9   8    -0.01   0.02  -0.02    -0.00   0.00  -0.01     0.00  -0.00   0.01
    10   1     0.21   0.05   0.04     0.11   0.07  -0.00    -0.18   0.15   0.03
    11   1    -0.38  -0.08   0.09    -0.06  -0.27   0.02     0.31   0.24  -0.07
    12   8    -0.01   0.00  -0.01     0.02  -0.01  -0.03     0.00  -0.00   0.01
    13   6     0.00  -0.03   0.02    -0.04   0.05  -0.06    -0.02  -0.02   0.03
    14   1    -0.10  -0.23  -0.02     0.08  -0.23   0.00    -0.47  -0.18   0.04
    15   8    -0.00   0.00   0.01     0.01  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.43   0.01  -0.06     0.40   0.03  -0.05     0.53   0.08  -0.07
    17   1    -0.00   0.07   0.05    -0.00   0.01   0.02     0.00  -0.05  -0.03
    18   1     0.24  -0.10   0.09     0.05  -0.02   0.02     0.01  -0.01   0.00
    19   1     0.03   0.02  -0.02    -0.18  -0.16   0.15     0.02   0.02  -0.02
    20   8     0.01   0.02   0.01    -0.02  -0.03  -0.02     0.01   0.01   0.00
    21   1    -0.04   0.02   0.08     0.10  -0.05  -0.09    -0.10   0.04   0.03
    22   1    -0.12   0.07  -0.19     0.41  -0.14   0.47    -0.14   0.04  -0.11
    23   1     0.04   0.05  -0.05    -0.03  -0.02   0.02    -0.01  -0.00   0.00
    24   1    -0.06  -0.01  -0.21     0.11   0.01   0.34    -0.03  -0.01  -0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.0455              1428.6032              1441.0602
 Red. masses --      1.5130                 1.4409                 1.4062
 Frc consts  --      1.8027                 1.7326                 1.7206
 IR Inten    --     24.0902                19.8737                 2.0020
 RamAct Fr= 1--      3.8652                 4.5098                 2.1322
  Dep-P Fr= 1--      0.6960                 0.4234                 0.5081
  Dep-U Fr= 1--      0.8208                 0.5949                 0.6739
 Alpha2 Fr= 1--      0.0036                 0.0307                 0.0101
 Beta2  Fr= 1--      0.5287                 0.4471                 0.2395
 AlphaG Fr= 1--     -0.0016                 0.0232                -0.0051
 Gamma2 Fr= 1--      0.0768                -0.1069                -0.1410
 Delta2 Fr= 1--     -0.3093                 0.6532                -0.2562
 Raman1 Fr= 1--      15.461                 18.039                  8.529
 ROA1   Fr= 1--      -2.530                 10.635                -21.730
 CID1   Fr= 1--      -0.164                  0.590                 -2.548
 Raman2 Fr= 1--       6.345                  5.366                  2.874
 ROA2   Fr= 1--       4.317                 -7.792                 -1.334
 CID2   Fr= 1--       0.680                 -1.452                 -0.464
 Raman3 Fr= 1--      12.690                 10.731                  5.747
 ROA3   Fr= 1--      -2.530                 10.635                -21.730
 CID3   Fr= 1--      -0.199                  0.991                 -3.781
 RC180  Fr= 1--       0.642                  0.190                  0.348
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.02  -0.01     0.08   0.02  -0.00     0.08  -0.08  -0.03
     2   6    -0.09  -0.06   0.01    -0.05  -0.05   0.01     0.06   0.07   0.00
     3   6    -0.07   0.04   0.02    -0.06   0.02   0.01    -0.07  -0.03   0.02
     4   6     0.03  -0.02  -0.02     0.05  -0.04   0.01     0.00   0.03   0.00
     5   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.02   0.03   0.00     0.03   0.03   0.00    -0.01   0.01   0.01
     7   8    -0.02  -0.01  -0.01    -0.01  -0.01  -0.01    -0.02  -0.01  -0.02
     8   1    -0.34  -0.01   0.07    -0.20  -0.03   0.04    -0.32   0.54   0.14
     9   8    -0.00   0.02  -0.02    -0.00   0.01  -0.01     0.00  -0.03   0.02
    10   1     0.40   0.12  -0.02     0.23   0.11  -0.00    -0.36  -0.19   0.01
    11   1     0.20  -0.07  -0.04     0.17  -0.08  -0.04     0.34   0.20  -0.06
    12   8     0.01  -0.01  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.01
    13   6     0.08   0.00   0.05    -0.11  -0.02  -0.03    -0.00  -0.00  -0.01
    14   1    -0.15   0.09   0.01    -0.06   0.11   0.04     0.01  -0.13  -0.01
    15   8     0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.00  -0.01  -0.01
    16   1    -0.13  -0.12   0.01    -0.18  -0.16   0.02     0.08  -0.08  -0.01
    17   1    -0.01   0.20   0.14    -0.00   0.13   0.09    -0.01   0.24   0.16
    18   1     0.17  -0.07   0.07     0.12  -0.05   0.05    -0.26   0.11  -0.09
    19   1    -0.10  -0.09   0.09    -0.05  -0.05   0.05     0.03   0.03  -0.02
    20   8    -0.03  -0.02  -0.00     0.04   0.03   0.01    -0.00  -0.00  -0.00
    21   1    -0.29   0.15  -0.36     0.34  -0.19   0.50    -0.01   0.01   0.00
    22   1    -0.27   0.02  -0.17     0.20   0.02   0.07     0.07  -0.02   0.07
    23   1    -0.01  -0.01   0.01    -0.01  -0.02   0.02    -0.05  -0.06   0.04
    24   1     0.09  -0.00   0.28    -0.15   0.00  -0.47     0.01  -0.00   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1446.8126              1462.0526              1498.4877
 Red. masses --      1.6632                 1.6558                 1.0825
 Frc consts  --      2.0513                 2.0854                 1.4321
 IR Inten    --     21.3822                 5.8911                 5.2900
 RamAct Fr= 1--      2.1978                 4.0423                 5.4571
  Dep-P Fr= 1--      0.6829                 0.6671                 0.6952
  Dep-U Fr= 1--      0.8116                 0.8003                 0.8202
 Alpha2 Fr= 1--      0.0026                 0.0060                 0.0052
 Beta2  Fr= 1--      0.2973                 0.5392                 0.7460
 AlphaG Fr= 1--      0.0182                -0.0199                 0.0087
 Gamma2 Fr= 1--      0.1432                -0.0063                -0.0602
 Delta2 Fr= 1--     -0.5242                 0.6235                -0.2910
 Raman1 Fr= 1--       8.791                 16.169                 21.828
 ROA1   Fr= 1--      -3.025                 19.344                -15.089
 CID1   Fr= 1--      -0.344                  1.196                 -0.691
 Raman2 Fr= 1--       3.568                  6.470                  8.952
 ROA2   Fr= 1--       7.630                 -5.139                  0.884
 CID2   Fr= 1--       2.139                 -0.794                  0.099
 Raman3 Fr= 1--       7.135                 12.940                 17.903
 ROA3   Fr= 1--      -3.025                 19.344                -15.089
 CID3   Fr= 1--      -0.424                  1.495                 -0.843
 RC180  Fr= 1--       0.623                  0.601                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.06   0.00     0.03  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.05  -0.05   0.00    -0.05   0.09   0.00     0.00   0.00  -0.00
     3   6     0.04  -0.16  -0.02    -0.02   0.02   0.01    -0.00   0.01   0.00
     4   6    -0.08   0.09   0.01     0.03  -0.02   0.00     0.01  -0.01  -0.00
     5   8     0.01  -0.01   0.00    -0.01   0.03  -0.00    -0.00  -0.00   0.00
     6   6     0.02  -0.01  -0.01     0.03  -0.19  -0.03     0.00   0.00   0.00
     7   8    -0.02  -0.01  -0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
     8   1    -0.17  -0.18   0.01    -0.10  -0.01   0.02     0.01   0.00  -0.00
     9   8    -0.00   0.01  -0.01     0.01  -0.01   0.00    -0.00  -0.00   0.00
    10   1     0.23   0.10  -0.01     0.18  -0.23  -0.06    -0.00  -0.00  -0.00
    11   1    -0.00   0.56   0.01     0.06  -0.06  -0.02    -0.01  -0.03   0.00
    12   8    -0.03   0.02   0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.01  -0.00  -0.03    -0.01   0.00  -0.00     0.05   0.00  -0.06
    14   1     0.26  -0.30  -0.05    -0.07   0.04   0.02     0.03   0.02  -0.01
    15   8    -0.01   0.00   0.01    -0.02   0.02   0.05     0.00  -0.00  -0.00
    16   1    -0.05   0.09   0.00     0.02   0.77   0.02     0.00  -0.00   0.00
    17   1    -0.01   0.15   0.09    -0.00   0.06   0.04     0.00  -0.01  -0.00
    18   1     0.14  -0.05   0.05    -0.05   0.02  -0.03    -0.00   0.00  -0.00
    19   1     0.27   0.25  -0.23    -0.03  -0.03   0.03    -0.02  -0.02   0.01
    20   8    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.01
    21   1     0.00   0.02   0.02     0.04  -0.02   0.04    -0.27   0.41   0.53
    22   1     0.18  -0.08   0.19    -0.01   0.01  -0.01    -0.42  -0.42   0.35
    23   1     0.05   0.06  -0.05     0.25   0.30  -0.26    -0.00  -0.00   0.00
    24   1     0.02  -0.00   0.06    -0.01   0.00  -0.04     0.00   0.00  -0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2950.5863              2980.0899              2985.5961
 Red. masses --      1.0826                 1.0814                 1.0798
 Frc consts  --      5.5529                 5.6584                 5.6707
 IR Inten    --     33.2767                 5.7454                27.9298
 RamAct Fr= 1--     61.3828                22.3552               170.5337
  Dep-P Fr= 1--      0.1729                 0.0651                 0.2738
  Dep-U Fr= 1--      0.2948                 0.1223                 0.4299
 Alpha2 Fr= 1--      0.8949                 0.4259                 1.8889
 Beta2  Fr= 1--      3.0160                 0.4557                12.2192
 AlphaG Fr= 1--     -0.9232                -0.3529                 0.2708
 Gamma2 Fr= 1--     -6.0599                -1.6224                16.9457
 Delta2 Fr= 1--     -0.3250                -2.0128                14.9189
 Raman1 Fr= 1--     245.531                 89.421                682.135
 ROA1   Fr= 1--    -592.151               -220.157               2104.196
 CID1   Fr= 1--      -2.412                 -2.462                  3.085
 Raman2 Fr= 1--      36.192                  5.468                146.631
 ROA2   Fr= 1--    -142.838                -22.834                287.346
 CID2   Fr= 1--      -3.947                 -4.176                  1.960
 Raman3 Fr= 1--      72.383                 10.937                293.261
 ROA3   Fr= 1--    -592.151               -220.157               2104.196
 CID3   Fr= 1--      -8.181                -20.130                  7.175
 RC180  Fr= 1--      -0.410                 -0.755                 -0.140
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.01   0.01  -0.06    -0.01   0.01  -0.05
     2   6    -0.00  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.02
     4   6     0.00   0.00   0.00     0.01  -0.00   0.05    -0.01   0.00  -0.06
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.08     0.00  -0.00  -0.01    -0.00   0.00  -0.01
     7   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.03   0.02  -0.14     0.14  -0.11   0.73     0.11  -0.09   0.57
     9   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   1    -0.01   0.01  -0.09    -0.02   0.02  -0.14    -0.02   0.02  -0.13
    11   1     0.00   0.00   0.02    -0.00  -0.00  -0.02    -0.04   0.01  -0.21
    12   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.01   0.01   0.01
    14   1    -0.01  -0.00  -0.05    -0.06   0.05  -0.60     0.07  -0.06   0.69
    15   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.14  -0.06   0.97     0.00  -0.00   0.06     0.02  -0.01   0.12
    17   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00  -0.00    -0.02  -0.04   0.01     0.03   0.06  -0.02
    22   1    -0.00   0.01   0.00    -0.05   0.15   0.09     0.08  -0.23  -0.15
    23   1     0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3005.4227              3018.0293              3032.1531
 Red. masses --      1.0737                 1.0838                 1.0849
 Frc consts  --      5.7139                 5.8165                 5.8768
 IR Inten    --     75.5388                11.5714                63.4932
 RamAct Fr= 1--    212.4948                10.6772                40.3983
  Dep-P Fr= 1--      0.0956                 0.2504                 0.1568
  Dep-U Fr= 1--      0.1744                 0.4006                 0.2711
 Alpha2 Fr= 1--      3.7611                 0.1264                 0.6138
 Beta2  Fr= 1--      6.1778                 0.7128                 1.8252
 AlphaG Fr= 1--      0.6135                 0.1626                -0.0149
 Gamma2 Fr= 1--     -8.4675                -1.1867                 1.2548
 Delta2 Fr= 1--    -11.0248                -1.9654                -0.0130
 Raman1 Fr= 1--     849.979                 42.709                161.593
 ROA1   Fr= 1--   -1165.677               -176.811                120.047
 CID1   Fr= 1--      -1.371                 -4.140                  0.743
 Raman2 Fr= 1--      74.134                  8.554                 21.902
 ROA2   Fr= 1--    -115.023                -12.757                 30.220
 CID2   Fr= 1--      -1.552                 -1.491                  1.380
 Raman3 Fr= 1--     148.268                 17.107                 43.805
 ROA3   Fr= 1--   -1165.677               -176.811                120.047
 CID3   Fr= 1--      -7.862                -10.335                  2.741
 RC180  Fr= 1--      -0.651                 -0.199                 -0.458
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.02
     2   6    -0.00  -0.00   0.00    -0.01   0.01  -0.07    -0.00   0.00  -0.04
     3   6     0.00   0.00   0.01     0.01  -0.00   0.04    -0.02   0.00  -0.07
     4   6    -0.00  -0.00  -0.03     0.00  -0.00   0.01    -0.00   0.00  -0.01
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.01
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.01  -0.01   0.03     0.01  -0.02   0.08     0.04  -0.03   0.21
     9   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   1    -0.00   0.00  -0.02     0.10  -0.11   0.86     0.05  -0.06   0.42
    11   1    -0.02   0.01  -0.09    -0.09   0.02  -0.44     0.18  -0.03   0.84
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.03  -0.05  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   1     0.04  -0.03   0.33    -0.01   0.00  -0.07     0.01  -0.01   0.16
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.02     0.01  -0.00   0.09     0.01  -0.00   0.06
    17   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.09  -0.15   0.04     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1    -0.26   0.74   0.48     0.00  -0.01  -0.00    -0.01   0.02   0.01
    23   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3116.0083              3778.8962              3787.5715
 Red. masses --      1.0926                 1.0655                 1.0659
 Frc consts  --      6.2506                 8.9645                 9.0095
 IR Inten    --      9.6591                31.6783                44.1527
 RamAct Fr= 1--     73.2878                41.0299                58.2604
  Dep-P Fr= 1--      0.3377                 0.1062                 0.2320
  Dep-U Fr= 1--      0.5048                 0.1919                 0.3766
 Alpha2 Fr= 1--      0.6694                 0.7076                 0.7259
 Beta2  Fr= 1--      6.1665                 1.3126                 3.6566
 AlphaG Fr= 1--     -0.0433                -0.1718                -0.3207
 Gamma2 Fr= 1--      2.1339                -1.8453                -6.6566
 Delta2 Fr= 1--      0.3463                 0.1174                -0.5046
 Raman1 Fr= 1--     293.151                164.120                233.041
 ROA1   Fr= 1--     215.940               -173.392               -655.180
 CID1   Fr= 1--       0.737                 -1.056                 -2.811
 Raman2 Fr= 1--      73.997                 15.751                 43.880
 ROA2   Fr= 1--      48.444                -45.226               -155.721
 CID2   Fr= 1--       0.655                 -2.871                 -3.549
 Raman3 Fr= 1--     147.995                 31.502                 87.759
 ROA3   Fr= 1--     215.940               -173.392               -655.180
 CID3   Fr= 1--       1.459                 -5.504                 -7.466
 RC180  Fr= 1--       0.010                 -0.616                 -0.247
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.05  -0.02
    13   6    -0.04  -0.08   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.17  -0.02   0.01
    18   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    19   1     0.00   0.00   0.00    -0.01   0.02   0.01    -0.37   0.84   0.35
    20   8     0.00   0.00   0.00    -0.04  -0.04   0.02     0.00   0.00  -0.00
    21   1     0.57   0.77  -0.24     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   1    -0.06   0.13   0.09    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.01
    24   1    -0.01  -0.01  -0.00     0.63   0.71  -0.30    -0.01  -0.02   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3789.3946              3794.9103              3797.2167
 Red. masses --      1.0659                 1.0660                 1.0660
 Frc consts  --      9.0177                 9.0447                 9.0556
 IR Inten    --     59.1007                42.0883                62.4870
 RamAct Fr= 1--     95.9815                64.7527               153.9942
  Dep-P Fr= 1--      0.1601                 0.3348                 0.1529
  Dep-U Fr= 1--      0.2760                 0.5017                 0.2653
 Alpha2 Fr= 1--      1.4461                 0.5967                 2.3631
 Beta2  Fr= 1--      4.4155                 5.4142                 6.8079
 AlphaG Fr= 1--      0.3874                -0.3296                 0.8643
 Gamma2 Fr= 1--      7.7217               -15.4957                16.3824
 Delta2 Fr= 1--      0.9713                -6.0995                 6.2085
 Raman1 Fr= 1--     383.926                259.011                615.977
 ROA1   Fr= 1--     772.368              -1682.766               1771.383
 CID1   Fr= 1--       2.012                 -6.497                  2.876
 Raman2 Fr= 1--      52.986                 64.970                 81.695
 ROA2   Fr= 1--     177.551               -323.100                343.510
 CID2   Fr= 1--       3.351                 -4.973                  4.205
 Raman3 Fr= 1--     105.973                129.940                163.389
 ROA3   Fr= 1--     772.368              -1682.766               1771.383
 CID3   Fr= 1--       7.288                -12.950                 10.841
 RC180  Fr= 1--      -0.448                  0.003                 -0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8    -0.06   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   8     0.00   0.00  -0.00    -0.03  -0.05   0.02    -0.01  -0.01   0.01
    10   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   8    -0.00   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    15   8     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.02  -0.05  -0.03
    16   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1     0.97  -0.09   0.07     0.07  -0.01   0.01     0.01  -0.00   0.00
    18   1    -0.04  -0.06   0.02     0.49   0.76  -0.29     0.15   0.24  -0.09
    19   1     0.07  -0.15  -0.06    -0.00   0.00   0.00     0.00  -0.01  -0.00
    20   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    23   1    -0.00   0.01   0.01     0.08  -0.24  -0.15    -0.26   0.77   0.49
    24   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1539.979562209.021433379.13667
           X            0.99996  -0.00748  -0.00581
           Y            0.00752   0.99995   0.00600
           Z            0.00577  -0.00604   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05624     0.03921     0.02563
 Rotational constants (GHZ):           1.17193     0.81699     0.53408
 Zero-point vibrational energy     516772.4 (Joules/Mol)
                                  123.51156 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.16   132.30   170.74   202.28   332.83
          (Kelvin)            347.77   364.26   384.48   410.92   431.66
                              480.43   529.00   548.02   554.41   584.99
                              605.18   614.75   655.61   744.67   817.07
                              853.52   907.17  1034.89  1309.83  1327.23
                             1459.46  1473.01  1495.11  1531.74  1546.74
                             1561.27  1583.52  1600.10  1612.98  1622.41
                             1660.65  1735.24  1784.70  1792.72  1800.02
                             1811.43  1908.44  1917.84  1937.17  1947.16
                             1964.48  1990.76  2005.02  2046.01  2055.44
                             2073.36  2081.64  2103.57  2155.99  4245.24
                             4287.68  4295.61  4324.13  4342.27  4362.59
                             4483.24  5436.99  5449.47  5452.09  5460.03
                             5463.35
 
 Zero-point correction=                           0.196828 (Hartree/Particle)
 Thermal correction to Energy=                    0.209257
 Thermal correction to Enthalpy=                  0.210202
 Thermal correction to Gibbs Free Energy=         0.159173
 Sum of electronic and zero-point Energies=           -687.313648
 Sum of electronic and thermal Energies=              -687.301219
 Sum of electronic and thermal Enthalpies=            -687.300275
 Sum of electronic and thermal Free Energies=         -687.351304
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.311             47.599            107.399
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.820
 Vibrational            129.534             41.637             35.108
 Vibration     1          0.598              1.968              4.125
 Vibration     2          0.602              1.955              3.618
 Vibration     3          0.609              1.934              3.122
 Vibration     4          0.615              1.913              2.796
 Vibration     5          0.653              1.793              1.869
 Vibration     6          0.658              1.776              1.790
 Vibration     7          0.664              1.757              1.708
 Vibration     8          0.672              1.733              1.614
 Vibration     9          0.683              1.700              1.500
 Vibration    10          0.693              1.674              1.417
 Vibration    11          0.715              1.608              1.241
 Vibration    12          0.740              1.539              1.089
 Vibration    13          0.751              1.511              1.036
 Vibration    14          0.754              1.501              1.018
 Vibration    15          0.771              1.456              0.939
 Vibration    16          0.783              1.425              0.890
 Vibration    17          0.789              1.411              0.868
 Vibration    18          0.814              1.348              0.779
 Vibration    19          0.873              1.211              0.616
 Vibration    20          0.924              1.101              0.508
 Vibration    21          0.951              1.046              0.461
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.610517D-73        -73.214302       -168.582161
 Total V=0       0.209075D+18         17.320303         39.881472
 Vib (Bot)       0.529663D-87        -87.276000       -200.960417
 Vib (Bot)    1  0.290413D+01          0.463017          1.066135
 Vib (Bot)    2  0.223513D+01          0.349303          0.804301
 Vib (Bot)    3  0.172254D+01          0.236169          0.543800
 Vib (Bot)    4  0.144603D+01          0.160176          0.368818
 Vib (Bot)    5  0.850913D+00         -0.070115         -0.161445
 Vib (Bot)    6  0.810569D+00         -0.091210         -0.210019
 Vib (Bot)    7  0.769738D+00         -0.113657         -0.261705
 Vib (Bot)    8  0.724230D+00         -0.140124         -0.322647
 Vib (Bot)    9  0.671164D+00         -0.173171         -0.398741
 Vib (Bot)   10  0.633872D+00         -0.197998         -0.455908
 Vib (Bot)   11  0.558214D+00         -0.253199         -0.583012
 Vib (Bot)   12  0.495954D+00         -0.304559         -0.701272
 Vib (Bot)   13  0.474394D+00         -0.323861         -0.745717
 Vib (Bot)   14  0.467460D+00         -0.330255         -0.760441
 Vib (Bot)   15  0.436244D+00         -0.360270         -0.829553
 Vib (Bot)   16  0.417253D+00         -0.379601         -0.874063
 Vib (Bot)   17  0.408662D+00         -0.388635         -0.894866
 Vib (Bot)   18  0.374603D+00         -0.426429         -0.981890
 Vib (Bot)   19  0.312561D+00         -0.505065         -1.162956
 Vib (Bot)   20  0.271577D+00         -0.566107         -1.303509
 Vib (Bot)   21  0.253457D+00         -0.596095         -1.372560
 Vib (V=0)       0.181387D+04          3.258605          7.503216
 Vib (V=0)    1  0.344686D+01          0.537424          1.237464
 Vib (V=0)    2  0.279038D+01          0.445663          1.026176
 Vib (V=0)    3  0.229364D+01          0.360525          0.830140
 Vib (V=0)    4  0.203003D+01          0.307502          0.708050
 Vib (V=0)    5  0.148694D+01          0.172294          0.396721
 Vib (V=0)    6  0.145238D+01          0.162079          0.373202
 Vib (V=0)    7  0.141788D+01          0.151638          0.349160
 Vib (V=0)    8  0.138006D+01          0.139899          0.322128
 Vib (V=0)    9  0.133694D+01          0.126111          0.290380
 Vib (V=0)   10  0.130734D+01          0.116388          0.267993
 Vib (V=0)   11  0.124940D+01          0.096702          0.222665
 Vib (V=0)   12  0.120425D+01          0.080717          0.185858
 Vib (V=0)   13  0.118924D+01          0.075269          0.173313
 Vib (V=0)   14  0.118448D+01          0.073529          0.169308
 Vib (V=0)   15  0.116356D+01          0.065788          0.151482
 Vib (V=0)   16  0.115123D+01          0.061162          0.140831
 Vib (V=0)   17  0.114576D+01          0.059093          0.136067
 Vib (V=0)   18  0.112476D+01          0.051060          0.117571
 Vib (V=0)   19  0.108966D+01          0.037289          0.085862
 Vib (V=0)   20  0.106899D+01          0.028975          0.066718
 Vib (V=0)   21  0.106057D+01          0.025540          0.058808
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.121368D+07          6.084106         14.009172
 
                                                          ROA calculations.
                                                             IR Spectrum
 
  33333                     3333222                                    11111111111111111111111111111                                 
  77777                     1000999                                    44444433333332222211111000000 99    7655544443333322222 11    
  99887                     1310885                                    96442298654325544052210876321 21    1396152208863086543 4197  
  75989                     6285601                                    82719244536369160648121555944 20    9138867175184067321 1921  
 
  XXXXX                     XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXX XX    XXXXXXXXXXXXXXXXXXX XXXX  
  XXXXX                      X XX X                                      X XX X XXXXXXXX XXXXXXXXXXX  X     XX XXXXXXXXX X   X       
  XXXXX                      X XX X                                      X  X   XXXX XXX XXXXXXX XXX  X     XX X  XXXXXX X           
  XXXXX                      X X  X                                             XXX  X X XXXXXXX XXX  X     X  X  XXXXXX X           
  XXXX                       X X                                                X X    X  XXXXXX  XX              XXXXX  X           
  X X                        X X                                                X      X   XXXXX  XX              XXXXX  X           
  X X                        X X                                                            XXXX   X               XXXX  X           
                             X X                                                            XXXX   X               XXXX  X           
                               X                                                            XXXX   X               XX X              
                                                                                            XXXX   X               XX X              
                                                                                             XXX   X               XX X              
                                                                                             XXX   X               XX                
                                                                                             XXX                   XX                
                                                                                             XXX                   XX                
                                                                                             XXX                    X                
                                                                                             XXX                    X                
                                                                                             XXX                    X                
                                                                                             XXX                                     
                                                                                             X                                       
                                                                                             X                                       
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000427   -0.000005974    0.000000246
      2        6           0.000001435    0.000003347    0.000001922
      3        6          -0.000002315   -0.000004778    0.000000377
      4        6          -0.000007077   -0.000005660    0.000000684
      5        8          -0.000003232    0.000004797    0.000002187
      6        6           0.000003325   -0.000001816    0.000002587
      7        8          -0.000000317    0.000006191    0.000000845
      8        1           0.000000967    0.000000416   -0.000000981
      9        8          -0.000001308    0.000004477   -0.000001316
     10        1          -0.000000313   -0.000000594   -0.000000112
     11        1          -0.000000451    0.000000481   -0.000000593
     12        8           0.000000582    0.000003043   -0.000001642
     13        6           0.000001067   -0.000003272    0.000006309
     14        1           0.000002480    0.000001814   -0.000001785
     15        8           0.000001273   -0.000002177   -0.000002997
     16        1           0.000000990   -0.000000729   -0.000000884
     17        1          -0.000001005   -0.000000969   -0.000000086
     18        1           0.000003652   -0.000000538   -0.000000953
     19        1           0.000001521   -0.000000267    0.000001483
     20        8          -0.000003878    0.000005937   -0.000003553
     21        1           0.000000870   -0.000000787    0.000003993
     22        1          -0.000002182   -0.000000231   -0.000000667
     23        1           0.000000034   -0.000002845   -0.000000498
     24        1           0.000004310    0.000000136   -0.000004564
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007077 RMS     0.000002732
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110087D+03  0.118364D+01 -0.179674D+01
      2   0.118364D+01  0.103210D+03  0.132408D+00
      3  -0.179674D+01  0.132408D+00  0.869430D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.189026D+01 -0.891111D+01 -0.115959D+01
      2   0.119285D+02 -0.349538D+01  0.142718D+02
      3   0.246681D+01 -0.772358D+01  0.174268D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.193882D+02 -0.133748D+02  0.123796D+02
      2  -0.221579D+02  0.113680D+02  0.967639D+01
      3   0.276971D+01  0.200683D+01 -0.220559D+02
      4  -0.142118D+02 -0.982034D+01 -0.107168D+02
      5  -0.973239D+01 -0.977249D+01  0.283969D+02
      6  -0.773306D+01 -0.109972D+02 -0.527838D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.373766D+01  0.532936D+00  0.329160D-01 -0.248296D+00  0.276678D+01
      2   0.532936D+00  0.333837D+01  0.210600D+00  0.276678D+01 -0.145278D+01
      3   0.329160D-01  0.210600D+00  0.106878D+01  0.531515D+00 -0.153740D+01
                 6             7             8             9            10 
      1   0.531515D+00 -0.359321D+00  0.487799D+00  0.139903D+01  0.475719D+01
      2  -0.153740D+01  0.487799D+00 -0.274285D+01 -0.134899D+01 -0.754335D+00
      3  -0.386918D+00  0.139903D+01 -0.134899D+01  0.788620D+01  0.135293D+00
                11            12            13            14            15 
      1  -0.754335D+00  0.135293D+00 -0.959862D+00 -0.276831D+01 -0.206196D+00
      2  -0.257295D+01 -0.692900D-01 -0.276831D+01 -0.400656D+00  0.986425D+00
      3  -0.692900D-01 -0.269220D+01 -0.206196D+00  0.986425D+00  0.172037D+01
                16            17            18            19            20 
      1   0.110077D+01 -0.370028D+00 -0.163748D+01  0.309794D+01 -0.511167D+00
      2  -0.370028D+00  0.171141D+01  0.103962D+01 -0.511167D+00 -0.296029D+01
      3  -0.163748D+01  0.103962D+01 -0.745643D+01  0.121647D+00  0.444055D+00
                21            22            23            24            25 
      1   0.121647D+00 -0.838235D+00 -0.362654D+01  0.168973D+00  0.772877D+00
      2   0.444055D+00 -0.362654D+01  0.817616D+00  0.163560D+01  0.583450D+00
      3  -0.967673D+00  0.168973D+00  0.163560D+01  0.153111D+01 -0.149956D+01
                26            27            28            29            30 
      1   0.583450D+00 -0.149956D+01 -0.180381D+01  0.221430D+01 -0.668566D+00
      2   0.235005D+01  0.109272D+01  0.221430D+01  0.270953D+01 -0.124306D+00
      3   0.109272D+01 -0.720417D+01 -0.668566D+00 -0.124306D+00  0.364696D+00
                31            32            33            34            35 
      1   0.252129D+01  0.376284D+01  0.790119D+00 -0.218745D+01  0.446535D+00
      2   0.376284D+01 -0.114546D+01 -0.180981D+01  0.446535D+00 -0.228769D+01
      3   0.790119D+00 -0.180981D+01 -0.185152D+01  0.403672D+00 -0.745633D+00
                36            37            38            39            40 
      1   0.403672D+00  0.529432D+01 -0.172913D+01 -0.172007D+00 -0.334514D+01
      2  -0.745633D+00 -0.172913D+01 -0.151469D+00 -0.278160D+00 -0.110120D+01
      3   0.712984D+01 -0.172007D+00 -0.278160D+00 -0.478154D+00 -0.237631D+00
                41            42            43            44            45 
      1  -0.110120D+01 -0.237631D+00  0.225160D+01  0.516470D+00  0.151156D+00
      2  -0.367238D+01  0.735977D+00  0.516470D+00  0.142570D+01 -0.393902D+00
      3   0.735977D+00  0.871240D+00  0.151156D+00 -0.393902D+00 -0.102606D+01
                46            47            48            49            50 
      1  -0.508072D+01 -0.583402D+00  0.169691D+00  0.112706D+01  0.263815D+01
      2  -0.583402D+00  0.110188D+01  0.461760D+00  0.263815D+01 -0.100836D+01
      3   0.169691D+00  0.461760D+00  0.160544D+01 -0.190136D+00 -0.121554D+01
                51            52            53            54            55 
      1  -0.190136D+00 -0.928584D+00 -0.838097D-01  0.169756D+01  0.517807D+01
      2  -0.121554D+01 -0.838097D-01 -0.196603D+01 -0.900606D+00 -0.191850D+00
      3  -0.240672D+01  0.169756D+01 -0.900606D+00  0.750680D+01  0.418066D+00
                56            57            58            59            60 
      1  -0.191850D+00  0.418066D+00  0.834595D+00 -0.143772D+01 -0.408127D+00
      2   0.554325D+00  0.249697D+00 -0.143772D+01  0.686508D+01  0.187033D+01
      3   0.249697D+00  0.579812D+00 -0.408127D+00  0.187033D+01  0.256456D+00
                61            62            63            64            65 
      1   0.132698D+01 -0.878121D+00 -0.672330D+00 -0.151517D+00  0.610951D-01
      2  -0.878121D+00  0.303742D+01  0.187018D+01  0.610951D-01 -0.864034D+00
      3  -0.672330D+00  0.187018D+01  0.634537D+00 -0.110986D+01  0.129091D+00
                66            67            68            69            70 
      1  -0.110986D+01  0.212605D+00 -0.708331D+00  0.105252D+00 -0.195437D+01
      2   0.129091D+00 -0.708331D+00  0.765015D+00 -0.101757D+01  0.318348D+00
      3  -0.820342D+00  0.105252D+00 -0.101757D+01  0.663089D+00 -0.990551D+00
                71            72            73            74            75 
      1   0.318348D+00 -0.990551D+00 -0.684453D+01  0.233812D+01 -0.250117D+00
      2  -0.178448D+01  0.100884D+01  0.233812D+01  0.921126D+00 -0.536342D+00
      3   0.100884D+01 -0.709878D+01 -0.250117D+00 -0.536342D+00  0.833671D+00
                76            77            78            79            80 
      1   0.517142D+01  0.610302D+00 -0.616200D+00 -0.260674D+01 -0.621373D+00
      2   0.610302D+00  0.358897D+01 -0.921941D+00 -0.621373D+00 -0.135689D+01
      3  -0.616200D+00 -0.921941D+00  0.686881D+00 -0.722966D+00  0.381458D+00
                81            82            83            84            85 
      1  -0.722966D+00 -0.842843D-02  0.206093D-01  0.109347D+01 -0.159460D+00
      2   0.381458D+00  0.206093D-01  0.596668D+00 -0.267299D-01  0.555387D+00
      3   0.234447D-01  0.109347D+01 -0.267299D-01  0.848721D+00 -0.296480D-01
                86            87            88            89            90 
      1   0.555387D+00 -0.296480D-01  0.192575D+01  0.105072D+00  0.869797D-01
      2  -0.489982D+00  0.868165D+00  0.105072D+00  0.149622D+01 -0.651697D+00
      3   0.868165D+00 -0.928276D+00  0.869797D-01 -0.651697D+00  0.751322D+01
                91            92            93            94            95 
      1   0.375586D+00 -0.131347D+00  0.110371D+01  0.233816D-01  0.868681D+00
      2  -0.131347D+00  0.910075D+00  0.337706D-01  0.868681D+00 -0.293212D+00
      3   0.110371D+01  0.337706D-01  0.708473D+00  0.539788D-01  0.817303D+00
                96            97            98            99           100 
      1   0.539788D-01  0.208488D+01 -0.167780D+00  0.114552D+01  0.393362D+01
      2   0.817303D+00 -0.167780D+00  0.165723D+01 -0.250010D-01  0.195253D+01
      3  -0.144676D+00  0.114552D+01 -0.250010D-01  0.665540D+01 -0.116681D+01
               101           102           103           104           105 
      1   0.195253D+01 -0.116681D+01  0.933659D+00  0.352316D+01 -0.111620D+00
      2   0.440351D+01 -0.136734D+00  0.352316D+01 -0.745673D+00 -0.181024D+01
      3  -0.136734D+00  0.679608D+00 -0.111620D+00 -0.181024D+01 -0.896811D+00
               106           107           108           109           110 
      1  -0.171291D+01 -0.711634D+00  0.138836D+01  0.285446D+01 -0.217640D+01
      2  -0.711634D+00 -0.369870D+01  0.695795D+00 -0.217640D+01 -0.233460D+01
      3   0.138836D+01  0.695795D+00 -0.555049D+00  0.152989D+01 -0.223695D+00
               111           112           113           114           115 
      1   0.152989D+01 -0.183412D+01 -0.408851D+01 -0.645742D+00  0.286546D+01
      2  -0.223695D+00 -0.408851D+01  0.984688D+00  0.369170D+01 -0.833581D+00
      3  -0.743246D+00 -0.645742D+00  0.369170D+01  0.210068D+01 -0.316890D+01
               116           117           118           119           120 
      1  -0.833581D+00 -0.316890D+01  0.361277D+00 -0.145040D+00 -0.136912D+01
      2   0.368731D+01  0.268429D+01 -0.145040D+00 -0.432984D+00  0.678770D-01
      3   0.268429D+01 -0.864749D+00 -0.136912D+01  0.678770D-01 -0.279920D+00
               121           122           123           124           125 
      1  -0.103124D+00 -0.383056D+00 -0.210625D+00 -0.196578D+01 -0.248645D+00
      2  -0.383056D+00  0.619929D+00 -0.102711D+01 -0.248645D+00 -0.136487D+01
      3  -0.210625D+00 -0.102711D+01  0.588639D+00  0.492563D+00  0.369464D+00
               126           127           128           129           130 
      1   0.492563D+00 -0.258999D+01 -0.190499D+01  0.906667D+00 -0.148357D+01
      2   0.369464D+00 -0.190499D+01 -0.349360D+01 -0.155163D+00 -0.251738D+01
      3  -0.836711D+01  0.906667D+00 -0.155163D+00 -0.400928D+00 -0.596304D-01
               131           132           133           134           135 
      1  -0.251738D+01 -0.596304D-01  0.194965D+01  0.678546D+00 -0.108832D+01
      2   0.196498D+01  0.247412D+01  0.678546D+00  0.528394D+01 -0.735811D-01
      3   0.247412D+01  0.114841D+01 -0.108832D+01 -0.735811D-01  0.108431D+01
               136           137           138           139           140 
      1  -0.500176D+00 -0.729492D-01 -0.135906D+01  0.224046D-01 -0.599672D+00
      2  -0.729492D-01 -0.358646D+00 -0.281318D+00 -0.599672D+00  0.143142D+00
      3  -0.135906D+01 -0.281318D+00 -0.930677D+00  0.812768D-01 -0.887656D+00
               141           142           143           144           145 
      1   0.812768D-01 -0.237889D+01 -0.529538D+00 -0.146662D+01 -0.742984D+01
      2  -0.887656D+00 -0.529538D+00 -0.151395D+01 -0.437998D+00  0.272984D+01
      3   0.528784D+00 -0.146662D+01 -0.437998D+00 -0.771360D+01  0.641398D+00
               146           147           148           149           150 
      1   0.272984D+01  0.641398D+00  0.138630D+01 -0.132494D+01 -0.133389D+00
      2  -0.303102D+01 -0.567136D+00 -0.132494D+01  0.123059D+01 -0.121349D-01
      3  -0.567136D+00 -0.121839D+01 -0.133389D+00 -0.121349D-01  0.428737D+00
               151           152           153           154           155 
      1  -0.143355D+00  0.268893D-02 -0.700786D+00 -0.495946D+01 -0.224433D+01
      2   0.268893D-02 -0.185745D+00  0.527848D+00 -0.224433D+01 -0.209968D+01
      3  -0.700786D+00  0.527848D+00  0.451011D+00  0.700236D+00  0.437877D+00
               156           157           158           159           160 
      1   0.700236D+00 -0.435461D+01 -0.255714D+01  0.616833D+00  0.156960D+01
      2   0.437877D+00 -0.255714D+01 -0.321796D+01  0.680959D+00  0.817416D+00
      3  -0.105025D+01  0.616833D+00  0.680959D+00 -0.900405D+00 -0.117364D+01
               161           162           163           164           165 
      1   0.817416D+00 -0.117364D+01 -0.629444D+00  0.725187D+00  0.334571D+00
      2   0.100631D+01 -0.584447D+00  0.725187D+00 -0.183516D+01 -0.907078D-01
      3  -0.584447D+00  0.542371D+00  0.334571D+00 -0.907078D-01 -0.288430D+00
               166           167           168           169           170 
      1   0.148628D+01 -0.419742D-01 -0.184258D+00  0.618463D+00 -0.238227D-01
      2  -0.419742D-01  0.792003D+01  0.734702D+00 -0.238227D-01  0.197355D+01
      3  -0.184258D+00  0.734702D+00  0.133632D+01 -0.461058D-01  0.107997D+01
               171           172           173           174           175 
      1  -0.461058D-01  0.355073D+01  0.747710D+00  0.159912D+01  0.164273D+01
      2   0.107997D+01  0.747710D+00  0.196048D+01 -0.107838D+01  0.191845D+01
      3   0.246924D+00  0.159912D+01 -0.107838D+01  0.231746D+01 -0.552520D+00
               176           177           178           179           180 
      1   0.191845D+01 -0.552520D+00  0.140239D+01 -0.734678D+00  0.346001D+01
      2   0.161760D+01  0.840585D-01 -0.734678D+00 -0.494994D+00 -0.941574D+00
      3   0.840585D-01  0.118975D+01  0.346001D+01 -0.941574D+00  0.377680D+01
               181           182           183           184           185 
      1   0.421052D+01  0.228895D+01 -0.109512D+01  0.401905D+01  0.231334D+01
      2   0.228895D+01  0.186049D+01 -0.362665D+00  0.231334D+01  0.343935D+01
      3  -0.109512D+01 -0.362665D+00  0.106452D+01 -0.601246D+00 -0.131683D+01
               186           187           188           189           190 
      1  -0.601246D+00 -0.147280D+01 -0.382243D+00  0.137417D+01  0.207400D+01
      2  -0.131683D+01 -0.382243D+00 -0.105638D+01  0.737120D+00 -0.144813D+01
      3   0.110253D+01  0.137417D+01  0.737120D+00 -0.762391D+00 -0.152875D+01
               191           192           193           194           195 
      1  -0.144813D+01 -0.152875D+01 -0.290435D+01  0.312613D+01  0.140748D+01
      2   0.146919D+01  0.663444D+00  0.312613D+01 -0.510751D+01 -0.281647D+01
      3   0.663444D+00  0.102655D+01  0.140748D+01 -0.281647D+01 -0.306889D+01
               196           197           198           199           200 
      1  -0.230488D+01  0.137183D+01  0.189900D+01 -0.157037D+00 -0.795196D+00
      2   0.137183D+01 -0.252129D+01 -0.247518D+01 -0.795196D+00  0.181979D+01
      3   0.189900D+01 -0.247518D+01 -0.342037D+01 -0.334903D+00  0.368333D+00
               201           202           203           204           205 
      1  -0.334903D+00 -0.116273D+01 -0.184119D+00  0.140183D+00 -0.676566D+00
      2   0.368333D+00 -0.184119D+00 -0.937327D+01 -0.178125D+01 -0.863460D-01
      3   0.258888D+00  0.140183D+00 -0.178125D+01 -0.159833D+01 -0.840457D-02
               206           207           208           209           210 
      1  -0.863460D-01 -0.840457D-02 -0.179510D+01 -0.923000D+00  0.267639D+00
      2  -0.407395D+01 -0.190504D+01 -0.923000D+00 -0.151100D+01  0.864116D+00
      3  -0.190504D+01 -0.104802D+01  0.267639D+00  0.864116D+00 -0.148640D+01
               211           212           213           214           215 
      1  -0.198729D+01 -0.744339D+00  0.291353D+00  0.823187D+00  0.343449D+00
      2  -0.744339D+00 -0.304976D+01  0.157460D+01  0.343449D+00  0.141868D+01
      3   0.291353D+00  0.157460D+01 -0.197044D+01 -0.322342D+00 -0.100366D+01
               216 
      1  -0.322342D+00
      2  -0.100366D+01
      3   0.206589D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.111090D+00  0.115138D+00 -0.230402D+01 -0.765278D+00  0.881409D+00
      2  -0.235934D+00 -0.950226D-01 -0.378005D+00  0.476434D+00  0.184124D+01
      3  -0.242401D+01 -0.870530D-01 -0.296100D+00  0.488072D+01  0.163412D+01
                 6             7             8             9            10 
      1   0.126099D+01 -0.131948D+01  0.435366D+01 -0.715670D+01 -0.475868D+00
      2   0.122208D+01 -0.389754D+01  0.504287D+00 -0.514471D+01 -0.200260D+01
      3  -0.537761D+00  0.912152D-01 -0.190527D+01  0.352235D+00 -0.220948D+01
                11            12            13            14            15 
      1  -0.122633D+01 -0.542503D+00  0.198608D+00  0.272482D+00 -0.167779D+01
      2  -0.772776D+00  0.271242D+01 -0.121184D+00 -0.167558D+01 -0.289474D+01
      3  -0.557362D+01  0.105137D-01  0.380991D-01  0.455423D+00  0.186544D+01
                16            17            18            19            20 
      1  -0.102872D+01  0.400882D+01 -0.129771D+01 -0.127391D+00 -0.341528D+00
      2  -0.115850D+01 -0.162031D+01  0.103803D+02 -0.318739D+00  0.889903D+00
      3  -0.529090D+00  0.257659D+01  0.215923D+01  0.322985D+01 -0.122837D+01
                21            22            23            24            25 
      1   0.268727D+01 -0.962851D-01 -0.210269D+01 -0.192202D+01  0.236801D+01
      2   0.951332D+00 -0.838639D+00  0.819630D+00 -0.380329D+00 -0.469124D+01
      3  -0.271214D+00  0.438736D+01 -0.486074D+01 -0.234411D+01  0.159124D+00
                26            27            28            29            30 
      1   0.196252D+01  0.609908D+01 -0.220537D+01 -0.918997D+00  0.103293D+01
      2   0.557702D+00 -0.324021D+01 -0.651332D+01  0.352526D+01 -0.102501D+01
      3  -0.116783D+01 -0.268051D+01 -0.656109D+01 -0.861483D+01 -0.582820D+00
                31            32            33            34            35 
      1  -0.931873D+00  0.442668D+00  0.212876D+01  0.189425D+00  0.410578D+01
      2   0.239496D+01 -0.124770D+01 -0.392014D+01 -0.490902D+01  0.134441D+00
      3  -0.543641D+01  0.127581D+01  0.349075D+01  0.240917D+00  0.307490D+01
                36            37            38            39            40 
      1  -0.536107D+00  0.152435D+01  0.206105D+00 -0.177740D+01  0.144766D+01
      2   0.111604D+02  0.349500D+01 -0.727285D+00  0.942877D+01 -0.194293D+01
      3   0.185180D+01 -0.780981D+01 -0.404267D+01  0.608187D-01  0.149082D+02
                41            42            43            44            45 
      1   0.243467D+01 -0.577028D+01  0.188149D+01  0.222722D+01  0.724464D+00
      2  -0.121960D+01  0.184305D+01 -0.480526D+01 -0.122397D+01  0.134047D+00
      3   0.542622D+01 -0.364460D+00 -0.271043D+01 -0.139105D+01 -0.323568D+00
                46            47            48            49            50 
      1   0.541629D+00 -0.101228D+01  0.246963D+01 -0.858164D+00 -0.299167D+01
      2  -0.290793D+01 -0.118998D+01 -0.601158D+01  0.192706D-01  0.268512D+01
      3   0.620865D+01  0.386254D+01 -0.111839D+00  0.256067D+01 -0.201693D+01
                51            52            53            54            55 
      1  -0.707653D+00  0.446341D+00  0.130374D+01  0.808919D+01 -0.873981D+00
      2   0.189749D+01 -0.631037D+01 -0.546460D+00 -0.909465D+01 -0.559695D+01
      3  -0.209876D+01  0.972492D+00 -0.142328D+01 -0.328611D+01  0.167748D+02
                56            57            58            59            60 
      1   0.352066D+00 -0.478444D+00  0.185916D+01 -0.226775D+01 -0.632050D+01
      2   0.232713D+01  0.176066D+01  0.472008D+00 -0.265406D+01 -0.174722D+01
      3  -0.310873D+01 -0.203533D+00  0.550255D+01  0.679646D+01  0.890799D+00
                61            62            63            64            65 
      1   0.495603D+00  0.806571D+00 -0.286663D+01  0.115483D+01  0.327016D+00
      2  -0.345570D+01 -0.147400D+01 -0.140899D+01  0.906639D+00 -0.409866D+00
      3   0.304769D+01  0.279533D+01  0.107913D+01 -0.951673D-01 -0.173935D+01
                66            67            68            69            70 
      1   0.737382D+00  0.313826D-01  0.124695D+01 -0.121740D+01  0.822879D+00
      2   0.183214D+01  0.373749D-01  0.457091D+00 -0.222069D+00 -0.308426D+01
      3  -0.100613D+01  0.763150D+00 -0.221140D+00 -0.775753D+00 -0.258230D+01
                71            72            73            74            75 
      1   0.324008D+01  0.882895D+01  0.593528D+00 -0.121990D+00  0.584534D+00
      2  -0.426700D+00  0.625347D+01  0.447842D+01  0.215363D+01  0.455195D+01
      3  -0.169358D+01 -0.123801D+00  0.984450D+01 -0.225239D+01 -0.232291D+01
                76            77            78            79            80 
      1  -0.114973D+01  0.104993D+01 -0.177113D+01  0.867730D+00  0.264064D+01
      2   0.182450D+01  0.270943D+01 -0.334046D+01 -0.217303D+01 -0.166203D+01
      3   0.787404D+01  0.160359D+02 -0.275847D+01 -0.220127D+01 -0.532110D+01
                81            82            83            84            85 
      1  -0.183410D-01  0.201468D+00  0.844054D+00  0.221223D+00  0.525283D+00
      2   0.215551D+01 -0.291899D+01  0.114312D+00 -0.114436D+01  0.541196D+00
      3   0.130814D+01  0.120575D-01 -0.271115D-01 -0.243112D+00  0.176886D+01
                86            87            88            89            90 
      1  -0.325592D+00 -0.137907D+01  0.169245D+00  0.354099D+01  0.959448D+00
      2  -0.151836D+01  0.135257D+01 -0.454695D+01  0.806564D+00 -0.112047D+02
      3  -0.666460D+00  0.126120D+01 -0.442985D+00  0.210567D+01 -0.542233D+00
                91            92            93            94            95 
      1  -0.159542D+01  0.672271D+00 -0.966317D+00  0.292830D+00 -0.130160D+01
      2   0.310237D+00  0.446267D+00  0.596516D+00  0.826087D+00  0.145610D+00
      3   0.945771D+00 -0.179068D+01  0.120637D+01  0.364038D+00  0.846158D+00
                96            97            98            99           100 
      1  -0.171099D+00 -0.176152D+01  0.379354D+01 -0.731516D+01  0.213369D+01
      2   0.114080D+00 -0.346770D+01  0.301150D+00  0.389640D+01 -0.187669D+00
      3  -0.525812D+00  0.242178D+01 -0.174693D+01  0.121728D+01  0.806028D+01
               101           102           103           104           105 
      1  -0.184343D+01 -0.365971D+01 -0.617009D+00  0.713865D+01 -0.151836D+01
      2  -0.411456D+00  0.439755D+01  0.868051D+00 -0.123221D+01  0.112458D+01
      3  -0.968998D+01 -0.221577D+01 -0.766799D-02  0.996513D+01  0.284288D+01
               106           107           108           109           110 
      1  -0.237734D+01  0.480916D+01  0.331742D+01  0.306785D+01  0.117014D+01
      2  -0.124627D+01  0.629032D+00 -0.133783D+01  0.927730D+01 -0.342247D+01
      3  -0.465792D+01  0.497456D+01  0.194650D+01  0.648374D+01  0.738589D+01
               111           112           113           114           115 
      1  -0.962538D+00  0.133812D+01  0.156610D+01 -0.328457D+01 -0.130102D+01
      2   0.823452D+00 -0.400140D+01  0.847347D+01  0.643794D+01 -0.822562D+01
      3  -0.202216D+00  0.173508D+02 -0.561018D+00 -0.961905D+01  0.656230D+00
               116           117           118           119           120 
      1  -0.218914D+01 -0.243530D+01 -0.329114D-01  0.970760D+00  0.377088D+00
      2   0.696771D+01 -0.495461D+01 -0.247742D+01 -0.211504D+00 -0.163657D+00
      3  -0.949799D+01 -0.591046D+01  0.240369D+00  0.480962D-01  0.262850D+00
               121           122           123           124           125 
      1   0.255050D+00 -0.145166D+01 -0.153713D+00  0.192654D+00  0.455588D+01
      2  -0.220073D-01 -0.199925D+01  0.855923D+00 -0.545954D+01  0.430320D+00
      3   0.223839D+01 -0.159426D+01  0.158479D+01  0.586399D+00  0.223620D+01
               126           127           128           129           130 
      1  -0.100711D+01  0.165240D+01 -0.226909D+00 -0.330244D+01  0.933075D+00
      2  -0.120004D+02 -0.237974D+01 -0.281059D+00  0.440250D+01  0.359619D+00
      3  -0.160415D+01  0.544230D+01 -0.719644D+01 -0.244086D+01  0.383293D+01
               131           132           133           134           135 
      1   0.110823D+02 -0.218092D+01 -0.167620D+01  0.553241D+01  0.542885D+01
      2  -0.431923D+01  0.482344D+00 -0.426852D+00  0.138917D+00 -0.253295D+01
      3   0.933408D+01  0.440347D+01 -0.540377D+01  0.815613D+01  0.293581D+01
               136           137           138           139           140 
      1  -0.182714D+01  0.163693D+00 -0.102245D+01  0.525884D+00 -0.170190D+01
      2   0.108355D+01  0.591077D+00  0.159735D+01  0.710457D+00  0.710163D+00
      3   0.101816D+01 -0.173447D+01  0.167169D+01  0.560017D-02  0.163979D+01
               141           142           143           144           145 
      1   0.517312D+00 -0.851234D+00  0.491503D+01 -0.865618D+01 -0.275182D+00
      2  -0.113953D+01 -0.334350D+01 -0.141580D+00  0.925955D+01  0.465643D+01
      3  -0.984970D+00  0.317326D+01 -0.169282D+01  0.241148D+01 -0.185904D+02
               146           147           148           149           150 
      1  -0.296920D+00  0.296739D+01 -0.173180D+00  0.195100D+00 -0.814407D+00
      2  -0.107047D+01  0.277118D+01 -0.679383D+00  0.818268D+00 -0.734034D+00
      3  -0.168028D-01  0.811893D+00  0.150534D+01 -0.266040D+01 -0.649055D+00
               151           152           153           154           155 
      1   0.146656D+01 -0.330882D+00 -0.776979D+00 -0.636823D-02  0.184516D-01
      2   0.505051D+00 -0.793989D+00 -0.324835D+00 -0.222370D+01 -0.156146D+01
      3  -0.850296D+00 -0.537165D+00 -0.750766D+00 -0.756813D+01 -0.806698D+01
               156           157           158           159           160 
      1  -0.749754D+00  0.373822D+00 -0.809511D+00 -0.974962D+00 -0.281531D+00
      2   0.368044D+01 -0.220704D+01 -0.244582D+01  0.369759D+01  0.248239D+01
      3   0.170854D+01 -0.763124D+01 -0.136446D+02  0.244425D+01  0.301258D+01
               161           162           163           164           165 
      1   0.785683D+00  0.358652D+00 -0.161576D+01  0.184757D+01  0.155833D+01
      2   0.183746D+01 -0.150503D+01  0.217324D+00  0.604395D-01 -0.526951D+00
      3   0.396355D+01 -0.167096D+01 -0.489370D+01  0.500834D+01  0.169889D+01
               166           167           168           169           170 
      1   0.103507D+01 -0.672789D+01 -0.504427D+01  0.471810D+00 -0.310957D+01
      2  -0.553746D-01  0.741985D+00  0.118562D+01 -0.106534D+01  0.114888D+01
      3   0.609374D+01 -0.136884D+02 -0.216220D+01  0.280377D+01 -0.390676D+01
               171           172           173           174           175 
      1  -0.154085D+01  0.242124D+01  0.286460D+01  0.172087D+01  0.140419D+01
      2   0.357009D+00 -0.529076D+00 -0.567600D+01  0.119005D+02 -0.420863D+01
      3  -0.182054D+01 -0.755711D+01 -0.994126D+01  0.274134D+01 -0.625552D+01
               176           177           178           179           180 
      1   0.354484D+01 -0.362796D+01  0.600963D+00  0.442329D+01  0.503993D+01
      2  -0.222843D+01  0.369681D+01  0.470003D+01 -0.617946D+00  0.131175D+02
      3  -0.566901D+01  0.301459D+00  0.157412D+01  0.803353D+00  0.136935D-01
               181           182           183           184           185 
      1  -0.201156D+01 -0.152491D+01 -0.390568D+00 -0.169939D+01 -0.315928D+01
      2  -0.804188D+00  0.110962D+00  0.384149D+01  0.109246D+01 -0.271120D+01
      3  -0.823548D+01 -0.796415D+01  0.171352D+01 -0.663952D+01 -0.140390D+02
               186           187           188           189           190 
      1  -0.764564D-01  0.363443D+00  0.220734D+01 -0.560817D+00  0.118264D+00
      2   0.407939D+01  0.183517D+01  0.199946D+01 -0.125858D+01 -0.297584D+01
      3   0.434784D+01  0.149209D+01  0.379840D+01 -0.274780D+01  0.232313D+01
               191           192           193           194           195 
      1  -0.107005D+01  0.874245D+00 -0.127560D+01  0.299059D+01 -0.250638D+01
      2   0.127236D+01  0.285235D+01  0.977677D+00 -0.596790D+01 -0.914416D+01
      3  -0.464047D+01 -0.107432D+01 -0.423691D+01  0.132018D+02  0.699496D+01
               196           197           198           199           200 
      1   0.418486D+00  0.151581D+01 -0.167246D+01 -0.443526D+00  0.173213D+01
      2   0.196621D+01 -0.621903D+01 -0.899209D+01  0.768581D+00 -0.230726D+00
      3  -0.139469D+01  0.667012D+01  0.591022D+01 -0.226235D+01  0.402199D+01
               201           202           203           204           205 
      1   0.155759D+01  0.411424D+00 -0.712493D+01 -0.593327D+01  0.226464D+00
      2  -0.178339D+00 -0.672756D+00  0.257305D+01  0.207053D+01 -0.979674D+00
      3   0.144159D+01  0.429318D+01 -0.153688D+02 -0.368645D+01  0.235417D+01
               206           207           208           209           210 
      1  -0.545311D+01 -0.330999D+01 -0.202987D+01 -0.270065D+01 -0.632337D+00
      2   0.257292D+01  0.129771D+01  0.597910D+01  0.463510D+01 -0.519890D+01
      3  -0.680112D+01 -0.331969D+01  0.703019D+01  0.577896D+01 -0.242458D+01
               211           212           213           214           215 
      1  -0.216554D+01 -0.294752D+01 -0.328633D+00  0.208884D+00  0.196409D+01
      2   0.414927D+01  0.724427D+01 -0.653734D+01 -0.328909D+01 -0.389470D+01
      3   0.688623D+01  0.897172D+01 -0.481980D+01 -0.181309D+01 -0.406991D+01
               216 
      1   0.371764D+00
      2   0.588642D+01
      3   0.359506D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.542865D+01 -0.613727D+01 -0.730881D+00 -0.395085D+01  0.495092D+01
      2  -0.215762D+01  0.920268D+01  0.383836D+00  0.645060D+01 -0.129882D+02
      3  -0.327103D+01 -0.306541D+01  0.347045D+00 -0.249975D+01  0.803726D+01
      4  -0.242522D+01 -0.558808D+01 -0.811771D-01 -0.974261D+01  0.787169D+01
      5   0.130338D+01 -0.153937D+01 -0.358443D+01 -0.339244D+01  0.185807D+01
      6   0.126051D+01  0.223717D+01  0.538023D+01  0.286534D+01 -0.728631D+01
                 6             7             8             9            10 
      1   0.362444D+01  0.119330D+01  0.430175D+01  0.526057D+01 -0.275655D+02
      2  -0.212435D+01  0.324501D+01 -0.110071D+02  0.311691D+01  0.146378D+02
      3  -0.150009D+01 -0.443832D+01  0.670537D+01 -0.837748D+01  0.129277D+02
      4   0.261308D+01 -0.203008D+01  0.671855D+01  0.545945D+01  0.373783D+01
      5   0.309812D+01 -0.306110D+01  0.347284D+01 -0.162788D+02 -0.103580D+01
      6  -0.762806D+01  0.469977D+01 -0.489858D+01  0.199385D+02 -0.487258D+00
                11            12            13            14            15 
      1  -0.104476D+01  0.148341D+01  0.307232D+01  0.869174D+01  0.170045D+00
      2   0.301103D+01  0.158650D+01 -0.154459D+01 -0.331308D+01 -0.882427D+00
      3  -0.196627D+01 -0.306991D+01 -0.152773D+01 -0.537866D+01  0.712382D+00
      4   0.636503D+00  0.309197D-01  0.791471D+01  0.644018D+00 -0.242599D+01
      5  -0.315761D+00  0.800029D+00  0.940729D+00 -0.178138D+01 -0.529402D+01
      6   0.494598D+00  0.208944D+01 -0.918968D+00 -0.336431D+00 -0.299275D+00
                16            17            18            19            20 
      1  -0.517519D+01  0.173837D+01  0.129856D+02 -0.200703D+01  0.505110D+01
      2   0.316276D+01 -0.474551D+01  0.180072D+01 -0.103650D+00 -0.100235D+02
      3   0.201243D+01  0.300714D+01 -0.147864D+02  0.211068D+01  0.497241D+01
      4   0.213653D+01 -0.305431D+01 -0.284504D+01 -0.132656D+01 -0.793732D+01
      5   0.667550D+01 -0.310532D+01  0.222281D+02  0.136152D+01  0.293671D+01
      6   0.727240D+00  0.334006D+00  0.525412D+01 -0.357889D-01  0.380733D+01
                21            22            23            24            25 
      1  -0.173799D+01  0.243886D+01 -0.259027D+01 -0.321651D+01  0.158190D+01
      2   0.423254D+00 -0.718777D+01 -0.762865D+00  0.334083D+01  0.330009D+01
      3   0.131473D+01  0.474891D+01  0.335314D+01 -0.124326D+00 -0.488199D+01
      4   0.133084D+01 -0.115580D+02 -0.619181D+01  0.190930D+01  0.368205D+01
      5  -0.415974D+01  0.141263D+01  0.365078D+01 -0.196173D+00 -0.184826D+01
      6  -0.562293D+01  0.289437D+01  0.482723D+01 -0.214913D+01 -0.367477D+01
                26            27            28            29            30 
      1  -0.148458D+01 -0.196817D+01 -0.157558D+02  0.763316D+01 -0.108999D+01
      2   0.568459D+01  0.558714D+01  0.728848D+01 -0.842042D+01  0.171473D+01
      3  -0.420001D+01 -0.361897D+01  0.846732D+01  0.787260D+00 -0.624740D+00
      4   0.642541D+01 -0.102739D+01  0.181134D+00 -0.211668D+01 -0.374385D+00
      5   0.696917D+00 -0.991095D+01 -0.223219D+01 -0.123132D+01 -0.204392D+01
      6   0.128531D+01 -0.155435D+02 -0.230514D+00 -0.238852D+01 -0.658918D+00
                31            32            33            34            35 
      1   0.454378D+01  0.111325D+02 -0.345175D+01 -0.616878D+01 -0.160774D+00
      2  -0.327723D+01 -0.116308D+02 -0.378767D+01  0.327675D+01 -0.729571D+00
      3  -0.126655D+01  0.498309D+00  0.723942D+01  0.289203D+01  0.890345D+00
      4  -0.257274D+01 -0.824391D+01 -0.516611D+01  0.442946D+01 -0.225369D+01
      5   0.159421D+01 -0.761730D+01 -0.791922D+01  0.324001D+00 -0.237832D+01
      6  -0.424943D+01  0.337144D+01 -0.914629D+00 -0.136921D+01  0.115918D+01
                36            37            38            39            40 
      1   0.166294D+02  0.116429D+02 -0.262556D+01  0.130928D+01 -0.136471D+01
      2   0.124770D+02 -0.683685D+01  0.226259D+01 -0.159668D+01  0.210660D+01
      3  -0.291064D+02 -0.480603D+01  0.362972D+00  0.287402D+00 -0.741891D+00
      4  -0.297810D+01 -0.916238D+01  0.132722D+02 -0.638785D-01  0.127089D+02
      5   0.184154D+02  0.176553D+01  0.582889D+00  0.155581D+02 -0.125386D+01
      6   0.343096D+00  0.106566D+01  0.674243D+00  0.460483D+01  0.124105D+01
                41            42            43            44            45 
      1  -0.125929D+02  0.337900D+01  0.319467D+01  0.212474D+01 -0.483524D+01
      2   0.182449D+02  0.139689D+01 -0.406679D+01 -0.309214D+01 -0.306569D+01
      3  -0.565198D+01 -0.477590D+01  0.872112D+00  0.967394D+00  0.790093D+01
      4  -0.431495D+00  0.766623D+00 -0.534734D+01 -0.732201D+00 -0.178629D+01
      5   0.191408D+01  0.263853D+01  0.457875D+01 -0.148160D+01  0.152999D+01
      6  -0.451624D+00  0.567871D+01 -0.143846D+01  0.474929D+01  0.372258D+00
                46            47            48            49            50 
      1  -0.108100D+02  0.579277D+01  0.230646D+01 -0.218145D+01 -0.368414D+01
      2   0.899175D+01 -0.739398D+01  0.144590D+01 -0.509802D+01 -0.312449D+01
      3   0.181826D+01  0.160121D+01 -0.375236D+01  0.727948D+01  0.680863D+01
      4   0.661162D+01 -0.135061D+02 -0.151064D+01 -0.149179D+02 -0.863063D+01
      5   0.144333D+01 -0.269909D+00 -0.150196D+02  0.179795D+01  0.197227D+01
      6  -0.355847D+00  0.127220D+01 -0.843521D+01  0.267851D+00  0.542745D+01
                51            52            53            54            55 
      1  -0.449478D+01  0.374452D+01 -0.394845D+01  0.463011D+01 -0.145269D+02
      2  -0.586114D+00  0.352859D+01  0.738075D+01  0.152119D+02  0.606001D+01
      3   0.508089D+01 -0.727311D+01 -0.343230D+01 -0.198420D+02  0.846691D+01
      4   0.259433D+01  0.260541D+01  0.581253D+01 -0.298738D+00  0.221355D+02
      5   0.288499D+01 -0.600946D+01  0.842576D+00 -0.199883D+02  0.141179D+01
      6  -0.162151D+01 -0.358100D+01  0.174274D+01 -0.191901D+02  0.229387D+01
                56            57            58            59            60 
      1   0.296197D+01 -0.682913D+00  0.299583D+01 -0.245228D+02 -0.766385D+01
      2  -0.120850D+01  0.144685D+01 -0.590954D+01  0.407840D+02  0.583878D+01
      3  -0.175347D+01 -0.763932D+00  0.291371D+01 -0.162612D+02  0.182508D+01
      4   0.127292D+01  0.851980D+00  0.105095D+02 -0.202096D+02 -0.517982D+01
      5  -0.378641D+00  0.359834D+01  0.213551D+01 -0.378417D+01 -0.231321D+01
      6  -0.956584D-01  0.437536D+00 -0.277674D+01  0.129847D+02  0.123253D+02
                61            62            63            64            65 
      1  -0.928975D+00 -0.962584D+01 -0.862793D+01  0.121547D+01  0.695467D+00
      2  -0.144486D+01  0.131422D+02  0.351539D+01 -0.311455D+01 -0.152414D+01
      3   0.237384D+01 -0.351633D+01  0.511254D+01  0.189908D+01  0.828668D+00
      4   0.673874D+01 -0.945475D+01 -0.535430D+01 -0.142271D+01  0.360696D+01
      5   0.532285D+01 -0.517838D+01 -0.338595D+01  0.418661D+01 -0.123292D+01
      6  -0.352239D+01  0.150904D+02  0.785754D+01 -0.347618D+01  0.381778D+00
                66            67            68            69            70 
      1   0.199777D+01  0.898541D+00 -0.359551D+01  0.285255D+01  0.145310D+01
      2  -0.246953D+01 -0.159064D+01  0.285582D+01 -0.285464D+01 -0.271208D+01
      3   0.471758D+00  0.692097D+00  0.739686D+00  0.209376D-02  0.125898D+01
      4  -0.310607D+01  0.314836D+01 -0.269069D+01  0.252748D+01 -0.463459D+01
      5   0.811686D+01 -0.204773D+00  0.248616D+01 -0.129709D+01  0.636011D+01
      6  -0.209505D+01  0.105886D+01 -0.418213D+01  0.753071D+01 -0.344725D+01
                71            72            73            74            75 
      1   0.428423D+01 -0.118402D+02  0.472243D+02 -0.147507D+02  0.310936D+01
      2  -0.358353D+01 -0.110580D+02 -0.282787D+02  0.725250D+01 -0.199591D+01
      3  -0.700700D+00  0.228982D+02 -0.189456D+02  0.749819D+01 -0.111346D+01
      4   0.407625D+01 -0.381270D+01 -0.179293D+02  0.195291D+01  0.301740D+01
      5  -0.257386D+01  0.175065D+02  0.535342D+01  0.399349D+01  0.844237D+01
      6   0.688745D+01 -0.222468D+02  0.586642D+00  0.226702D+00 -0.166913D+01
                76            77            78            79            80 
      1  -0.303870D+02 -0.845523D+01  0.351644D+01  0.162065D+02  0.345868D+01
      2   0.165602D+02  0.749993D+01 -0.157315D+01 -0.874708D+01 -0.153997D+01
      3   0.138269D+02  0.955296D+00 -0.194329D+01 -0.745942D+01 -0.191871D+01
      4  -0.308505D+01 -0.208174D+02  0.573283D+01  0.324342D+01  0.740972D+01
      5   0.446551D+01  0.686368D+01 -0.530995D+01  0.928759D+01 -0.329493D+01
      6   0.180983D+01  0.180114D+01  0.356743D+01 -0.101244D+01  0.225443D+01
                81            82            83            84            85 
      1   0.218687D+01  0.812067D-01  0.191309D+00 -0.548481D+01  0.696063D+00
      2  -0.484288D+01 -0.296779D+01  0.984394D-01  0.734693D+00 -0.373047D+00
      3   0.265601D+01  0.288658D+01 -0.289749D+00  0.475012D+01 -0.323016D+00
      4  -0.308331D+01 -0.218764D+00  0.144456D+00 -0.251858D+00  0.238037D+00
      5   0.269451D+01 -0.222887D+01 -0.281472D+00  0.294589D+01 -0.187880D+00
      6   0.435278D+00 -0.733761D+00  0.400227D+00 -0.650352D+00  0.457216D-01
                86            87            88            89            90 
      1  -0.478895D+01  0.165743D+01 -0.716187D+01  0.157080D+01 -0.168080D+02
      2   0.844823D+00 -0.561587D-01  0.329048D+01  0.526444D+00 -0.134305D+02
      3   0.394412D+01 -0.160127D+01  0.387139D+01 -0.209725D+01  0.302385D+02
      4   0.137650D+01 -0.220676D+01 -0.892460D+00 -0.383226D+01  0.163767D+01
      5  -0.242273D+01  0.229917D+01  0.380488D+01  0.209725D+01 -0.208072D+02
      6  -0.160956D+01  0.739474D+01 -0.177059D+00  0.413275D+01 -0.489774D+01
                91            92            93            94            95 
      1   0.170264D+01 -0.159559D+01  0.191111D+01 -0.132763D+01 -0.756897D+00
      2  -0.318511D+01  0.251166D+01 -0.141583D+01  0.203194D+01 -0.104653D+01
      3   0.148247D+01 -0.916077D+00 -0.495284D+00 -0.704314D+00  0.180343D+01
      4   0.642315D+00  0.279457D+01  0.135106D+01  0.317939D+01  0.687703D+00
      5   0.340184D+01 -0.356142D+00  0.563487D+01 -0.373570D-01  0.197227D+01
      6   0.216173D+01 -0.215207D-01  0.169926D+01  0.509361D+00  0.148677D+01
                96            97            98            99           100 
      1  -0.118398D+01  0.160408D+01 -0.289869D+01 -0.855145D+01  0.115394D+02
      2   0.187824D+01 -0.347249D+01  0.445820D+01 -0.122796D+02 -0.206016D+01
      3  -0.694258D+00  0.186841D+01 -0.155950D+01  0.208310D+02 -0.947925D+01
      4   0.232093D+01  0.261458D+01  0.309587D+01  0.100819D+01  0.190176D+02
      5   0.137763D+00  0.560248D+01 -0.232297D+00  0.128263D+02 -0.458802D+01
      6   0.424878D+01  0.231519D+01  0.307345D+01  0.145443D+02 -0.587116D+01
               101           102           103           104           105 
      1  -0.899604D+01 -0.479667D+00 -0.384695D+01  0.872288D+01  0.603819D+01
      2   0.204224D+02  0.242610D+01  0.121099D+02 -0.857872D+01 -0.867082D+01
      3  -0.114264D+02 -0.194643D+01 -0.826292D+01 -0.144158D+00  0.263263D+01
      4   0.217177D+02 -0.411165D+01  0.187764D+02  0.124183D+02 -0.436066D+01
      5  -0.144263D+01  0.854308D+01 -0.103906D+01 -0.720405D+01  0.134972D+01
      6  -0.342542D+01  0.633450D+01 -0.269044D+01 -0.108343D+02  0.666514D+01
               106           107           108           109           110 
      1  -0.188190D+01  0.107887D+02 -0.128367D+01  0.119125D+02 -0.142851D+02
      2   0.297033D+00 -0.172361D+02 -0.214176D+01 -0.817312D+01  0.106690D+02
      3   0.158487D+01  0.644739D+01  0.342543D+01 -0.373936D+01  0.361613D+01
      4  -0.782226D+01 -0.106409D+02  0.596018D+01 -0.125072D+02 -0.136301D+02
      5   0.790839D+01  0.334502D+01 -0.367373D+01  0.709427D+01  0.958518D-01
      6   0.750056D+01  0.894037D+01 -0.734198D+01 -0.159576D+01  0.534875D+01
               111           112           113           114           115 
      1   0.729566D+01 -0.152070D+02 -0.185921D+02  0.282143D+01  0.100531D+02
      2  -0.130037D+01  0.108836D+02  0.673361D+01 -0.600141D+01 -0.355569D+01
      3  -0.599529D+01  0.432337D+01  0.118585D+02  0.317998D+01 -0.649739D+01
      4  -0.188416D+01 -0.240022D+02  0.766933D+01  0.218455D+02 -0.295180D+01
      5  -0.858619D+01 -0.109425D+01  0.249001D+02  0.151209D+02 -0.269713D+02
      6   0.325208D+01  0.926389D+01 -0.911180D+01 -0.100133D+02  0.890110D+01
               116           117           118           119           120 
      1   0.294323D+01 -0.114407D+02  0.113533D+01 -0.132037D+00 -0.456128D+01
      2  -0.281855D+01  0.449004D+01 -0.439264D+01  0.129716D+00  0.108935D+01
      3  -0.124680D+00  0.695065D+01  0.325731D+01  0.232004D-02  0.347193D+01
      4   0.178806D+02  0.176726D+02 -0.203107D+00  0.139345D+01  0.102354D+01
      5   0.173118D+02 -0.469769D+01 -0.361562D+01  0.120938D+00  0.620897D+01
      6  -0.161633D+02 -0.406252D+01  0.514545D+00  0.595229D+00 -0.333325D+00
               121           122           123           124           125 
      1   0.329786D-01 -0.512153D+01  0.722587D+00 -0.409951D+01  0.103381D+01
      2  -0.408831D+00  0.861147D+00  0.173065D+01  0.482856D+01  0.777543D+00
      3   0.375852D+00  0.426038D+01 -0.245323D+01 -0.729049D+00 -0.181135D+01
      4   0.137933D+01  0.153049D+01 -0.194810D+01  0.107345D+01 -0.250580D+01
      5  -0.590761D+00 -0.254008D+01  0.208999D+01  0.710430D+01  0.116384D+01
      6   0.153610D+00 -0.334715D+00  0.749804D+01  0.634377D+00  0.513700D+01
               126           127           128           129           130 
      1  -0.215647D+02  0.105734D+02 -0.713129D+01 -0.268069D+01 -0.644977D+00
      2  -0.188531D+02  0.614042D+00  0.187116D+02  0.374404D+01  0.993309D+01
      3   0.404178D+02 -0.111875D+02 -0.115803D+02 -0.106335D+01 -0.928811D+01
      4   0.153821D+01  0.165039D+02  0.222183D+02 -0.336484D+01  0.191261D+02
      5  -0.205074D+02 -0.270200D+01  0.503375D+00  0.728126D+01 -0.267191D+00
      6   0.231833D+01 -0.380165D+01  0.116552D+01  0.590000D+01  0.356838D+00
               131           132           133           134           135 
      1   0.123957D+02  0.103070D+02 -0.436880D+01  0.165975D+02  0.828964D+00
      2  -0.117309D+02 -0.140270D+02  0.391603D+00 -0.288123D+02 -0.576777D+01
      3  -0.664769D+00  0.372001D+01  0.397720D+01  0.122148D+02  0.493880D+01
      4   0.116766D+02 -0.528318D+01 -0.920474D+01 -0.155540D+02  0.376498D+01
      5  -0.682026D+01  0.498632D+00  0.678357D+01  0.484552D+00 -0.435146D+01
      6  -0.190721D+02  0.381598D+01  0.581211D+01  0.326396D+01 -0.983661D+01
               136           137           138           139           140 
      1   0.169865D+01 -0.315785D+00  0.210758D+01 -0.115751D+01 -0.199434D+01
      2  -0.475310D+01  0.435628D+00 -0.276184D+01  0.202380D+01 -0.692503D+00
      3   0.305445D+01 -0.119843D+00  0.654255D+00 -0.866286D+00  0.268684D+01
      4   0.142159D+01  0.334673D+01  0.328295D+01  0.324266D+01  0.285929D+00
      5   0.557251D+01  0.986928D+00  0.983844D+01 -0.543396D+00  0.269450D+01
      6   0.345240D+01  0.906706D+00  0.258707D+01  0.926594D+00  0.206414D+01
               141           142           143           144           145 
      1  -0.919982D+00  0.596646D+00 -0.266109D+01 -0.146399D+02  0.237113D+02
      2   0.383372D+01 -0.420219D+01  0.343455D+01 -0.185012D+02 -0.463419D+01
      3  -0.291374D+01  0.360554D+01 -0.773455D+00  0.331411D+02 -0.190771D+02
      4   0.211964D+01  0.535619D+01  0.513799D+01  0.217167D+01 -0.365675D+02
      5  -0.249253D+01  0.969461D+01  0.175326D+01  0.215201D+02 -0.622363D+01
      6   0.482729D+01  0.407625D+01  0.582581D+01  0.202286D+02  0.203716D+01
               146           147           148           149           150 
      1  -0.296326D+01 -0.279133D+00 -0.141385D+01  0.154519D+01  0.431246D+00
      2  -0.731955D+01  0.769155D-01 -0.381416D+01  0.408281D+01 -0.211814D+00
      3   0.102828D+02  0.202218D+00  0.522802D+01 -0.562800D+01 -0.219433D+00
      4   0.200101D+02  0.348806D+01  0.111652D+02 -0.751147D+01 -0.607000D+00
      5   0.289927D+01  0.468825D+01  0.113240D+01 -0.460669D+00 -0.150677D+01
      6  -0.282314D+01 -0.519898D+01 -0.123093D+01  0.296613D+00  0.156303D+01
               151           152           153           154           155 
      1   0.100860D+01  0.310043D+00  0.596025D+00  0.313741D+02  0.143496D+02
      2   0.586319D-01 -0.946028D+00 -0.854950D+00 -0.160075D+02 -0.711147D+01
      3  -0.106724D+01  0.635985D+00  0.258925D+00 -0.153666D+02 -0.723814D+01
      4  -0.760216D+00  0.559400D+00 -0.372663D+01  0.152458D+02  0.138572D+02
      5   0.488971D+01 -0.217653D+01 -0.118210D+01 -0.577103D+01 -0.336561D+01
      6  -0.344446D+01  0.337561D+01  0.176623D+01 -0.115138D+01 -0.724263D+00
               156           157           158           159           160 
      1  -0.493861D+01  0.259376D+02  0.136534D+02 -0.385785D+01 -0.857662D+01
      2   0.230284D+01 -0.130709D+02 -0.476595D+01  0.185562D+01  0.516110D+01
      3   0.263578D+01 -0.128667D+02 -0.888747D+01  0.200223D+01  0.341553D+01
      4  -0.288703D+01  0.187396D+02  0.198427D+02 -0.487699D+01 -0.490362D+01
      5   0.664216D+01 -0.524767D+01 -0.537076D+01  0.606864D+01  0.892250D+01
      6   0.859271D+00 -0.176781D+01 -0.151244D+01  0.147717D+01  0.176772D+01
               161           162           163           164           165 
      1  -0.442827D+01  0.513729D+01 -0.226540D+01  0.809013D+01  0.341026D+00
      2   0.256113D+01 -0.411010D+01  0.390441D+01 -0.117576D+02 -0.159595D+01
      3   0.186714D+01 -0.102718D+01 -0.163901D+01  0.366743D+01  0.125493D+01
      4  -0.586224D+01  0.389095D+01 -0.147922D+01  0.104739D+01  0.120262D+01
      5   0.446181D+01 -0.358058D+01  0.666558D+00 -0.979603D+00 -0.960239D+00
      6   0.256217D+01 -0.128595D+01  0.140286D+01  0.221762D+00 -0.156577D+01
               166           167           168           169           170 
      1   0.371809D+01 -0.270798D+02 -0.221727D+01  0.114980D+01 -0.665342D+01
      2  -0.292304D+01  0.473688D+02  0.576709D+01 -0.890028D+00  0.113869D+02
      3  -0.795050D+00 -0.202890D+02 -0.354982D+01 -0.259769D+00 -0.473350D+01
      4   0.580832D+01  0.127202D+02  0.110351D+01  0.199882D+01  0.384572D+01
      5  -0.113194D+01  0.324240D+01  0.269922D+01  0.803325D+00  0.241481D+01
      6  -0.622891D+00  0.115866D+01  0.631099D+01 -0.498914D+00  0.693891D+01
               171           172           173           174           175 
      1  -0.469269D+01  0.291893D+02  0.876655D+01  0.331491D+01  0.117721D+02
      2   0.501803D+01 -0.178670D+02 -0.731050D+01 -0.564038D+01 -0.935474D+01
      3  -0.325340D+00 -0.113223D+02 -0.145605D+01  0.232547D+01 -0.241737D+01
      4   0.133135D+01 -0.360160D+01  0.134367D+02 -0.633209D+01  0.127968D+02
      5   0.747023D+00  0.157402D+02 -0.385212D+01  0.192923D+02 -0.203307D+01
      6   0.180933D+01 -0.389115D+00  0.775466D+01 -0.676562D+01  0.580890D+01
               176           177           178           179           180 
      1   0.135986D+02 -0.485985D+01  0.651569D+01 -0.732037D+01  0.813700D+01
      2  -0.618733D+01  0.213567D+01 -0.716263D+01  0.252568D+01 -0.176609D+02
      3  -0.741130D+01  0.272417D+01  0.646942D+00  0.479469D+01  0.952391D+01
      4   0.242991D+01  0.293218D+01 -0.700283D+01  0.110952D+01 -0.916353D+01
      5   0.431124D+01  0.320071D+01  0.288745D+02 -0.844427D+01  0.278229D+02
      6   0.361356D+01  0.142460D+01 -0.909019D+01  0.967329D+01 -0.302488D+01
               181           182           183           184           185 
      1   0.316488D+02  0.158288D+02 -0.681063D+01  0.262132D+02  0.131816D+02
      2  -0.169645D+02 -0.857881D+01  0.404185D+01 -0.148035D+02 -0.494485D+01
      3  -0.146843D+02 -0.725001D+01  0.276879D+01 -0.114097D+02 -0.823673D+01
      4   0.144267D+02  0.131967D+02 -0.257410D+01  0.160572D+02  0.202698D+02
      5  -0.103922D+02 -0.450018D+01  0.929204D+01 -0.745816D+01 -0.100123D+02
      6  -0.129545D+01 -0.248895D+01  0.201903D+00 -0.296104D+01 -0.235264D+01
               186           187           188           189           190 
      1  -0.435704D+01 -0.777182D+01 -0.225037D+01  0.603430D+01  0.126487D+02
      2   0.367289D+01  0.551400D+01  0.247881D+01 -0.538633D+01 -0.445834D+01
      3   0.684157D+00  0.225782D+01 -0.228444D+00 -0.647972D+00 -0.819035D+01
      4  -0.816920D+01 -0.252317D+01 -0.622457D+01  0.447949D+01 -0.127809D+02
      5   0.833785D+01  0.120164D+02  0.597715D+01 -0.599416D+01 -0.121810D+02
      6   0.268418D+01  0.852022D+00  0.385017D+01 -0.191018D+01  0.560254D+01
               191           192           193           194           195 
      1  -0.735653D+01 -0.796715D+01 -0.117130D+02  0.399401D+01  0.235540D+00
      2   0.164007D+01  0.391426D+01  0.193967D+01  0.843279D+01  0.287878D+01
      3   0.571646D+01  0.405289D+01  0.977334D+01 -0.124268D+02 -0.311432D+01
      4   0.136997D+02  0.703250D+01  0.238883D+02 -0.319399D+02 -0.178072D+02
      5   0.657605D+01  0.102113D+02  0.122656D+02 -0.189607D+02 -0.204700D+02
      6  -0.410830D+01 -0.396051D+01 -0.820271D+01  0.154770D+02  0.141604D+02
               196           197           198           199           200 
      1  -0.923272D+01  0.159474D+00  0.152629D+01 -0.147951D+01  0.966061D+01
      2   0.528913D+01  0.129916D+01 -0.279170D+01  0.364593D+01 -0.131099D+02
      3   0.394360D+01 -0.145864D+01  0.126540D+01 -0.216642D+01  0.344927D+01
      4   0.107846D+02 -0.152520D+02 -0.155192D+02  0.127085D+01  0.351439D+01
      5   0.161182D+02 -0.163433D+02 -0.221561D+02  0.985653D+00 -0.156256D+00
      6  -0.706930D+01  0.125462D+02  0.135410D+02  0.213585D+01 -0.340729D+01
               201           202           203           204           205 
      1   0.240564D+01  0.313737D+01 -0.324365D+02 -0.736105D+01  0.174255D+01
      2  -0.314165D+01 -0.111876D+01  0.566439D+02  0.120043D+02 -0.961477D+00
      3   0.736004D+00 -0.201861D+01 -0.242074D+02 -0.464324D+01 -0.781069D+00
      4   0.143284D+01  0.660726D+01  0.196423D+02  0.332885D+01  0.313869D+01
      5   0.196230D+00  0.404895D-01  0.602230D+01  0.414816D+01  0.135009D+01
      6  -0.244706D+01 -0.397375D+00  0.151318D+02  0.992107D+01 -0.130146D+00
               206           207           208           209           210 
      1  -0.143846D+02 -0.799620D+01 -0.115334D+02 -0.101094D+02  0.746589D+01
      2   0.223185D+02  0.996683D+01  0.742091D+01  0.662194D+01 -0.221515D+01
      3  -0.793392D+01 -0.197063D+01  0.411245D+01  0.348748D+01 -0.525074D+01
      4   0.825831D+01  0.345901D+01 -0.386650D+00 -0.513092D+01  0.262959D+01
      5   0.542988D+01  0.267230D+01 -0.111293D+01  0.133884D+01 -0.599329D+01
      6   0.146635D+02  0.752164D+01 -0.308991D+01 -0.600380D+01  0.605672D+01
               211           212           213           214           215 
      1  -0.130509D+02 -0.144621D+02  0.773972D+01  0.651959D+01  0.641693D+01
      2   0.801365D+01  0.130266D+02 -0.538131D+01 -0.293059D+01 -0.355200D+01
      3   0.503721D+01  0.143552D+01 -0.235841D+01 -0.358899D+01 -0.286493D+01
      4   0.679839D+00 -0.112150D+02  0.643999D+01  0.271177D+00  0.503686D+01
      5  -0.130324D+01  0.508655D+01 -0.777346D+01  0.155572D+01 -0.305928D+01
      6  -0.318062D+01 -0.104240D+02  0.847524D+01  0.235289D+01  0.678546D+01
               216 
      1  -0.766561D+01
      2   0.159852D+01
      3   0.606710D+01
      4  -0.277849D+01
      5   0.675468D+01
      6  -0.645749D+01
 Leave Link  716 at Mon Sep 27 12:43:28 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.110087D+03  0.118364D+01 -0.179674D+01
      2   0.118364D+01  0.103210D+03  0.132408D+00
      3  -0.179674D+01  0.132408D+00  0.869430D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.189026D+01 -0.891111D+01 -0.115959D+01
      2   0.119285D+02 -0.349538D+01  0.142718D+02
      3   0.246681D+01 -0.772358D+01  0.174268D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.193882D+02 -0.133748D+02  0.123796D+02
      2  -0.221579D+02  0.113680D+02  0.967639D+01
      3   0.276971D+01  0.200683D+01 -0.220559D+02
      4  -0.142118D+02 -0.982034D+01 -0.107168D+02
      5  -0.973239D+01 -0.977249D+01  0.283969D+02
      6  -0.773306D+01 -0.109972D+02 -0.527838D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.373766D+01  0.532936D+00  0.329160D-01 -0.248296D+00  0.276678D+01
      2   0.532936D+00  0.333837D+01  0.210600D+00  0.276678D+01 -0.145278D+01
      3   0.329160D-01  0.210600D+00  0.106878D+01  0.531515D+00 -0.153740D+01
                 6             7             8             9            10 
      1   0.531515D+00 -0.359321D+00  0.487799D+00  0.139903D+01  0.475719D+01
      2  -0.153740D+01  0.487799D+00 -0.274285D+01 -0.134899D+01 -0.754335D+00
      3  -0.386918D+00  0.139903D+01 -0.134899D+01  0.788620D+01  0.135293D+00
                11            12            13            14            15 
      1  -0.754335D+00  0.135293D+00 -0.959862D+00 -0.276831D+01 -0.206196D+00
      2  -0.257295D+01 -0.692900D-01 -0.276831D+01 -0.400656D+00  0.986425D+00
      3  -0.692900D-01 -0.269220D+01 -0.206196D+00  0.986425D+00  0.172037D+01
                16            17            18            19            20 
      1   0.110077D+01 -0.370028D+00 -0.163748D+01  0.309794D+01 -0.511167D+00
      2  -0.370028D+00  0.171141D+01  0.103962D+01 -0.511167D+00 -0.296029D+01
      3  -0.163748D+01  0.103962D+01 -0.745643D+01  0.121647D+00  0.444055D+00
                21            22            23            24            25 
      1   0.121647D+00 -0.838235D+00 -0.362654D+01  0.168973D+00  0.772877D+00
      2   0.444055D+00 -0.362654D+01  0.817616D+00  0.163560D+01  0.583450D+00
      3  -0.967673D+00  0.168973D+00  0.163560D+01  0.153111D+01 -0.149956D+01
                26            27            28            29            30 
      1   0.583450D+00 -0.149956D+01 -0.180381D+01  0.221430D+01 -0.668566D+00
      2   0.235005D+01  0.109272D+01  0.221430D+01  0.270953D+01 -0.124306D+00
      3   0.109272D+01 -0.720417D+01 -0.668566D+00 -0.124306D+00  0.364696D+00
                31            32            33            34            35 
      1   0.252129D+01  0.376284D+01  0.790119D+00 -0.218745D+01  0.446535D+00
      2   0.376284D+01 -0.114546D+01 -0.180981D+01  0.446535D+00 -0.228769D+01
      3   0.790119D+00 -0.180981D+01 -0.185152D+01  0.403672D+00 -0.745633D+00
                36            37            38            39            40 
      1   0.403672D+00  0.529432D+01 -0.172913D+01 -0.172007D+00 -0.334514D+01
      2  -0.745633D+00 -0.172913D+01 -0.151469D+00 -0.278160D+00 -0.110120D+01
      3   0.712984D+01 -0.172007D+00 -0.278160D+00 -0.478154D+00 -0.237631D+00
                41            42            43            44            45 
      1  -0.110120D+01 -0.237631D+00  0.225160D+01  0.516470D+00  0.151156D+00
      2  -0.367238D+01  0.735977D+00  0.516470D+00  0.142570D+01 -0.393902D+00
      3   0.735977D+00  0.871240D+00  0.151156D+00 -0.393902D+00 -0.102606D+01
                46            47            48            49            50 
      1  -0.508072D+01 -0.583402D+00  0.169691D+00  0.112706D+01  0.263815D+01
      2  -0.583402D+00  0.110188D+01  0.461760D+00  0.263815D+01 -0.100836D+01
      3   0.169691D+00  0.461760D+00  0.160544D+01 -0.190136D+00 -0.121554D+01
                51            52            53            54            55 
      1  -0.190136D+00 -0.928584D+00 -0.838097D-01  0.169756D+01  0.517807D+01
      2  -0.121554D+01 -0.838097D-01 -0.196603D+01 -0.900606D+00 -0.191850D+00
      3  -0.240672D+01  0.169756D+01 -0.900606D+00  0.750680D+01  0.418066D+00
                56            57            58            59            60 
      1  -0.191850D+00  0.418066D+00  0.834595D+00 -0.143772D+01 -0.408127D+00
      2   0.554325D+00  0.249697D+00 -0.143772D+01  0.686508D+01  0.187033D+01
      3   0.249697D+00  0.579812D+00 -0.408127D+00  0.187033D+01  0.256456D+00
                61            62            63            64            65 
      1   0.132698D+01 -0.878121D+00 -0.672330D+00 -0.151517D+00  0.610951D-01
      2  -0.878121D+00  0.303742D+01  0.187018D+01  0.610951D-01 -0.864034D+00
      3  -0.672330D+00  0.187018D+01  0.634537D+00 -0.110986D+01  0.129091D+00
                66            67            68            69            70 
      1  -0.110986D+01  0.212605D+00 -0.708331D+00  0.105252D+00 -0.195437D+01
      2   0.129091D+00 -0.708331D+00  0.765015D+00 -0.101757D+01  0.318348D+00
      3  -0.820342D+00  0.105252D+00 -0.101757D+01  0.663089D+00 -0.990551D+00
                71            72            73            74            75 
      1   0.318348D+00 -0.990551D+00 -0.684453D+01  0.233812D+01 -0.250117D+00
      2  -0.178448D+01  0.100884D+01  0.233812D+01  0.921126D+00 -0.536342D+00
      3   0.100884D+01 -0.709878D+01 -0.250117D+00 -0.536342D+00  0.833671D+00
                76            77            78            79            80 
      1   0.517142D+01  0.610302D+00 -0.616200D+00 -0.260674D+01 -0.621373D+00
      2   0.610302D+00  0.358897D+01 -0.921941D+00 -0.621373D+00 -0.135689D+01
      3  -0.616200D+00 -0.921941D+00  0.686881D+00 -0.722966D+00  0.381458D+00
                81            82            83            84            85 
      1  -0.722966D+00 -0.842843D-02  0.206093D-01  0.109347D+01 -0.159460D+00
      2   0.381458D+00  0.206093D-01  0.596668D+00 -0.267299D-01  0.555387D+00
      3   0.234447D-01  0.109347D+01 -0.267299D-01  0.848721D+00 -0.296480D-01
                86            87            88            89            90 
      1   0.555387D+00 -0.296480D-01  0.192575D+01  0.105072D+00  0.869797D-01
      2  -0.489982D+00  0.868165D+00  0.105072D+00  0.149622D+01 -0.651697D+00
      3   0.868165D+00 -0.928276D+00  0.869797D-01 -0.651697D+00  0.751322D+01
                91            92            93            94            95 
      1   0.375586D+00 -0.131347D+00  0.110371D+01  0.233816D-01  0.868681D+00
      2  -0.131347D+00  0.910075D+00  0.337706D-01  0.868681D+00 -0.293212D+00
      3   0.110371D+01  0.337706D-01  0.708473D+00  0.539788D-01  0.817303D+00
                96            97            98            99           100 
      1   0.539788D-01  0.208488D+01 -0.167780D+00  0.114552D+01  0.393362D+01
      2   0.817303D+00 -0.167780D+00  0.165723D+01 -0.250010D-01  0.195253D+01
      3  -0.144676D+00  0.114552D+01 -0.250010D-01  0.665540D+01 -0.116681D+01
               101           102           103           104           105 
      1   0.195253D+01 -0.116681D+01  0.933659D+00  0.352316D+01 -0.111620D+00
      2   0.440351D+01 -0.136734D+00  0.352316D+01 -0.745673D+00 -0.181024D+01
      3  -0.136734D+00  0.679608D+00 -0.111620D+00 -0.181024D+01 -0.896811D+00
               106           107           108           109           110 
      1  -0.171291D+01 -0.711634D+00  0.138836D+01  0.285446D+01 -0.217640D+01
      2  -0.711634D+00 -0.369870D+01  0.695795D+00 -0.217640D+01 -0.233460D+01
      3   0.138836D+01  0.695795D+00 -0.555049D+00  0.152989D+01 -0.223695D+00
               111           112           113           114           115 
      1   0.152989D+01 -0.183412D+01 -0.408851D+01 -0.645742D+00  0.286546D+01
      2  -0.223695D+00 -0.408851D+01  0.984688D+00  0.369170D+01 -0.833581D+00
      3  -0.743246D+00 -0.645742D+00  0.369170D+01  0.210068D+01 -0.316890D+01
               116           117           118           119           120 
      1  -0.833581D+00 -0.316890D+01  0.361277D+00 -0.145040D+00 -0.136912D+01
      2   0.368731D+01  0.268429D+01 -0.145040D+00 -0.432984D+00  0.678770D-01
      3   0.268429D+01 -0.864749D+00 -0.136912D+01  0.678770D-01 -0.279920D+00
               121           122           123           124           125 
      1  -0.103124D+00 -0.383056D+00 -0.210625D+00 -0.196578D+01 -0.248645D+00
      2  -0.383056D+00  0.619929D+00 -0.102711D+01 -0.248645D+00 -0.136487D+01
      3  -0.210625D+00 -0.102711D+01  0.588639D+00  0.492563D+00  0.369464D+00
               126           127           128           129           130 
      1   0.492563D+00 -0.258999D+01 -0.190499D+01  0.906667D+00 -0.148357D+01
      2   0.369464D+00 -0.190499D+01 -0.349360D+01 -0.155163D+00 -0.251738D+01
      3  -0.836711D+01  0.906667D+00 -0.155163D+00 -0.400928D+00 -0.596304D-01
               131           132           133           134           135 
      1  -0.251738D+01 -0.596304D-01  0.194965D+01  0.678546D+00 -0.108832D+01
      2   0.196498D+01  0.247412D+01  0.678546D+00  0.528394D+01 -0.735811D-01
      3   0.247412D+01  0.114841D+01 -0.108832D+01 -0.735811D-01  0.108431D+01
               136           137           138           139           140 
      1  -0.500176D+00 -0.729492D-01 -0.135906D+01  0.224046D-01 -0.599672D+00
      2  -0.729492D-01 -0.358646D+00 -0.281318D+00 -0.599672D+00  0.143142D+00
      3  -0.135906D+01 -0.281318D+00 -0.930677D+00  0.812768D-01 -0.887656D+00
               141           142           143           144           145 
      1   0.812768D-01 -0.237889D+01 -0.529538D+00 -0.146662D+01 -0.742984D+01
      2  -0.887656D+00 -0.529538D+00 -0.151395D+01 -0.437998D+00  0.272984D+01
      3   0.528784D+00 -0.146662D+01 -0.437998D+00 -0.771360D+01  0.641398D+00
               146           147           148           149           150 
      1   0.272984D+01  0.641398D+00  0.138630D+01 -0.132494D+01 -0.133389D+00
      2  -0.303102D+01 -0.567136D+00 -0.132494D+01  0.123059D+01 -0.121349D-01
      3  -0.567136D+00 -0.121839D+01 -0.133389D+00 -0.121349D-01  0.428737D+00
               151           152           153           154           155 
      1  -0.143355D+00  0.268893D-02 -0.700786D+00 -0.495946D+01 -0.224433D+01
      2   0.268893D-02 -0.185745D+00  0.527848D+00 -0.224433D+01 -0.209968D+01
      3  -0.700786D+00  0.527848D+00  0.451011D+00  0.700236D+00  0.437877D+00
               156           157           158           159           160 
      1   0.700236D+00 -0.435461D+01 -0.255714D+01  0.616833D+00  0.156960D+01
      2   0.437877D+00 -0.255714D+01 -0.321796D+01  0.680959D+00  0.817416D+00
      3  -0.105025D+01  0.616833D+00  0.680959D+00 -0.900405D+00 -0.117364D+01
               161           162           163           164           165 
      1   0.817416D+00 -0.117364D+01 -0.629444D+00  0.725187D+00  0.334571D+00
      2   0.100631D+01 -0.584447D+00  0.725187D+00 -0.183516D+01 -0.907078D-01
      3  -0.584447D+00  0.542371D+00  0.334571D+00 -0.907078D-01 -0.288430D+00
               166           167           168           169           170 
      1   0.148628D+01 -0.419742D-01 -0.184258D+00  0.618463D+00 -0.238227D-01
      2  -0.419742D-01  0.792003D+01  0.734702D+00 -0.238227D-01  0.197355D+01
      3  -0.184258D+00  0.734702D+00  0.133632D+01 -0.461058D-01  0.107997D+01
               171           172           173           174           175 
      1  -0.461058D-01  0.355073D+01  0.747710D+00  0.159912D+01  0.164273D+01
      2   0.107997D+01  0.747710D+00  0.196048D+01 -0.107838D+01  0.191845D+01
      3   0.246924D+00  0.159912D+01 -0.107838D+01  0.231746D+01 -0.552520D+00
               176           177           178           179           180 
      1   0.191845D+01 -0.552520D+00  0.140239D+01 -0.734678D+00  0.346001D+01
      2   0.161760D+01  0.840585D-01 -0.734678D+00 -0.494994D+00 -0.941574D+00
      3   0.840585D-01  0.118975D+01  0.346001D+01 -0.941574D+00  0.377680D+01
               181           182           183           184           185 
      1   0.421052D+01  0.228895D+01 -0.109512D+01  0.401905D+01  0.231334D+01
      2   0.228895D+01  0.186049D+01 -0.362665D+00  0.231334D+01  0.343935D+01
      3  -0.109512D+01 -0.362665D+00  0.106452D+01 -0.601246D+00 -0.131683D+01
               186           187           188           189           190 
      1  -0.601246D+00 -0.147280D+01 -0.382243D+00  0.137417D+01  0.207400D+01
      2  -0.131683D+01 -0.382243D+00 -0.105638D+01  0.737120D+00 -0.144813D+01
      3   0.110253D+01  0.137417D+01  0.737120D+00 -0.762391D+00 -0.152875D+01
               191           192           193           194           195 
      1  -0.144813D+01 -0.152875D+01 -0.290435D+01  0.312613D+01  0.140748D+01
      2   0.146919D+01  0.663444D+00  0.312613D+01 -0.510751D+01 -0.281647D+01
      3   0.663444D+00  0.102655D+01  0.140748D+01 -0.281647D+01 -0.306889D+01
               196           197           198           199           200 
      1  -0.230488D+01  0.137183D+01  0.189900D+01 -0.157037D+00 -0.795196D+00
      2   0.137183D+01 -0.252129D+01 -0.247518D+01 -0.795196D+00  0.181979D+01
      3   0.189900D+01 -0.247518D+01 -0.342037D+01 -0.334903D+00  0.368333D+00
               201           202           203           204           205 
      1  -0.334903D+00 -0.116273D+01 -0.184119D+00  0.140183D+00 -0.676566D+00
      2   0.368333D+00 -0.184119D+00 -0.937327D+01 -0.178125D+01 -0.863460D-01
      3   0.258888D+00  0.140183D+00 -0.178125D+01 -0.159833D+01 -0.840457D-02
               206           207           208           209           210 
      1  -0.863460D-01 -0.840457D-02 -0.179510D+01 -0.923000D+00  0.267639D+00
      2  -0.407395D+01 -0.190504D+01 -0.923000D+00 -0.151100D+01  0.864116D+00
      3  -0.190504D+01 -0.104802D+01  0.267639D+00  0.864116D+00 -0.148640D+01
               211           212           213           214           215 
      1  -0.198729D+01 -0.744339D+00  0.291353D+00  0.823187D+00  0.343449D+00
      2  -0.744339D+00 -0.304976D+01  0.157460D+01  0.343449D+00  0.141868D+01
      3   0.291353D+00  0.157460D+01 -0.197044D+01 -0.322342D+00 -0.100366D+01
               216 
      1  -0.322342D+00
      2  -0.100366D+01
      3   0.206589D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.111090D+00  0.115138D+00 -0.230402D+01 -0.765278D+00  0.881409D+00
      2  -0.235934D+00 -0.950226D-01 -0.378005D+00  0.476434D+00  0.184124D+01
      3  -0.242401D+01 -0.870530D-01 -0.296100D+00  0.488072D+01  0.163412D+01
                 6             7             8             9            10 
      1   0.126099D+01 -0.131948D+01  0.435366D+01 -0.715670D+01 -0.475868D+00
      2   0.122208D+01 -0.389754D+01  0.504287D+00 -0.514471D+01 -0.200260D+01
      3  -0.537761D+00  0.912152D-01 -0.190527D+01  0.352235D+00 -0.220948D+01
                11            12            13            14            15 
      1  -0.122633D+01 -0.542503D+00  0.198608D+00  0.272482D+00 -0.167779D+01
      2  -0.772776D+00  0.271242D+01 -0.121184D+00 -0.167558D+01 -0.289474D+01
      3  -0.557362D+01  0.105137D-01  0.380991D-01  0.455423D+00  0.186544D+01
                16            17            18            19            20 
      1  -0.102872D+01  0.400882D+01 -0.129771D+01 -0.127391D+00 -0.341528D+00
      2  -0.115850D+01 -0.162031D+01  0.103803D+02 -0.318739D+00  0.889903D+00
      3  -0.529090D+00  0.257659D+01  0.215923D+01  0.322985D+01 -0.122837D+01
                21            22            23            24            25 
      1   0.268727D+01 -0.962851D-01 -0.210269D+01 -0.192202D+01  0.236801D+01
      2   0.951332D+00 -0.838639D+00  0.819630D+00 -0.380329D+00 -0.469124D+01
      3  -0.271214D+00  0.438736D+01 -0.486074D+01 -0.234411D+01  0.159124D+00
                26            27            28            29            30 
      1   0.196252D+01  0.609908D+01 -0.220537D+01 -0.918997D+00  0.103293D+01
      2   0.557702D+00 -0.324021D+01 -0.651332D+01  0.352526D+01 -0.102501D+01
      3  -0.116783D+01 -0.268051D+01 -0.656109D+01 -0.861483D+01 -0.582820D+00
                31            32            33            34            35 
      1  -0.931873D+00  0.442668D+00  0.212876D+01  0.189425D+00  0.410578D+01
      2   0.239496D+01 -0.124770D+01 -0.392014D+01 -0.490902D+01  0.134441D+00
      3  -0.543641D+01  0.127581D+01  0.349075D+01  0.240917D+00  0.307490D+01
                36            37            38            39            40 
      1  -0.536107D+00  0.152435D+01  0.206105D+00 -0.177740D+01  0.144766D+01
      2   0.111604D+02  0.349500D+01 -0.727285D+00  0.942877D+01 -0.194293D+01
      3   0.185180D+01 -0.780981D+01 -0.404267D+01  0.608187D-01  0.149082D+02
                41            42            43            44            45 
      1   0.243467D+01 -0.577028D+01  0.188149D+01  0.222722D+01  0.724464D+00
      2  -0.121960D+01  0.184305D+01 -0.480526D+01 -0.122397D+01  0.134047D+00
      3   0.542622D+01 -0.364460D+00 -0.271043D+01 -0.139105D+01 -0.323568D+00
                46            47            48            49            50 
      1   0.541629D+00 -0.101228D+01  0.246963D+01 -0.858164D+00 -0.299167D+01
      2  -0.290793D+01 -0.118998D+01 -0.601158D+01  0.192706D-01  0.268512D+01
      3   0.620865D+01  0.386254D+01 -0.111839D+00  0.256067D+01 -0.201693D+01
                51            52            53            54            55 
      1  -0.707653D+00  0.446341D+00  0.130374D+01  0.808919D+01 -0.873981D+00
      2   0.189749D+01 -0.631037D+01 -0.546460D+00 -0.909465D+01 -0.559695D+01
      3  -0.209876D+01  0.972492D+00 -0.142328D+01 -0.328611D+01  0.167748D+02
                56            57            58            59            60 
      1   0.352066D+00 -0.478444D+00  0.185916D+01 -0.226775D+01 -0.632050D+01
      2   0.232713D+01  0.176066D+01  0.472008D+00 -0.265406D+01 -0.174722D+01
      3  -0.310873D+01 -0.203533D+00  0.550255D+01  0.679646D+01  0.890799D+00
                61            62            63            64            65 
      1   0.495603D+00  0.806571D+00 -0.286663D+01  0.115483D+01  0.327016D+00
      2  -0.345570D+01 -0.147400D+01 -0.140899D+01  0.906639D+00 -0.409866D+00
      3   0.304769D+01  0.279533D+01  0.107913D+01 -0.951673D-01 -0.173935D+01
                66            67            68            69            70 
      1   0.737382D+00  0.313826D-01  0.124695D+01 -0.121740D+01  0.822879D+00
      2   0.183214D+01  0.373749D-01  0.457091D+00 -0.222069D+00 -0.308426D+01
      3  -0.100613D+01  0.763150D+00 -0.221140D+00 -0.775753D+00 -0.258230D+01
                71            72            73            74            75 
      1   0.324008D+01  0.882895D+01  0.593528D+00 -0.121990D+00  0.584534D+00
      2  -0.426700D+00  0.625347D+01  0.447842D+01  0.215363D+01  0.455195D+01
      3  -0.169358D+01 -0.123801D+00  0.984450D+01 -0.225239D+01 -0.232291D+01
                76            77            78            79            80 
      1  -0.114973D+01  0.104993D+01 -0.177113D+01  0.867730D+00  0.264064D+01
      2   0.182450D+01  0.270943D+01 -0.334046D+01 -0.217303D+01 -0.166203D+01
      3   0.787404D+01  0.160359D+02 -0.275847D+01 -0.220127D+01 -0.532110D+01
                81            82            83            84            85 
      1  -0.183410D-01  0.201468D+00  0.844054D+00  0.221223D+00  0.525283D+00
      2   0.215551D+01 -0.291899D+01  0.114312D+00 -0.114436D+01  0.541196D+00
      3   0.130814D+01  0.120575D-01 -0.271115D-01 -0.243112D+00  0.176886D+01
                86            87            88            89            90 
      1  -0.325592D+00 -0.137907D+01  0.169245D+00  0.354099D+01  0.959448D+00
      2  -0.151836D+01  0.135257D+01 -0.454695D+01  0.806564D+00 -0.112047D+02
      3  -0.666460D+00  0.126120D+01 -0.442985D+00  0.210567D+01 -0.542233D+00
                91            92            93            94            95 
      1  -0.159542D+01  0.672271D+00 -0.966317D+00  0.292830D+00 -0.130160D+01
      2   0.310237D+00  0.446267D+00  0.596516D+00  0.826087D+00  0.145610D+00
      3   0.945771D+00 -0.179068D+01  0.120637D+01  0.364038D+00  0.846158D+00
                96            97            98            99           100 
      1  -0.171099D+00 -0.176152D+01  0.379354D+01 -0.731516D+01  0.213369D+01
      2   0.114080D+00 -0.346770D+01  0.301150D+00  0.389640D+01 -0.187669D+00
      3  -0.525812D+00  0.242178D+01 -0.174693D+01  0.121728D+01  0.806028D+01
               101           102           103           104           105 
      1  -0.184343D+01 -0.365971D+01 -0.617009D+00  0.713865D+01 -0.151836D+01
      2  -0.411456D+00  0.439755D+01  0.868051D+00 -0.123221D+01  0.112458D+01
      3  -0.968998D+01 -0.221577D+01 -0.766799D-02  0.996513D+01  0.284288D+01
               106           107           108           109           110 
      1  -0.237734D+01  0.480916D+01  0.331742D+01  0.306785D+01  0.117014D+01
      2  -0.124627D+01  0.629032D+00 -0.133783D+01  0.927730D+01 -0.342247D+01
      3  -0.465792D+01  0.497456D+01  0.194650D+01  0.648374D+01  0.738589D+01
               111           112           113           114           115 
      1  -0.962538D+00  0.133812D+01  0.156610D+01 -0.328457D+01 -0.130102D+01
      2   0.823452D+00 -0.400140D+01  0.847347D+01  0.643794D+01 -0.822562D+01
      3  -0.202216D+00  0.173508D+02 -0.561018D+00 -0.961905D+01  0.656230D+00
               116           117           118           119           120 
      1  -0.218914D+01 -0.243530D+01 -0.329114D-01  0.970760D+00  0.377088D+00
      2   0.696771D+01 -0.495461D+01 -0.247742D+01 -0.211504D+00 -0.163657D+00
      3  -0.949799D+01 -0.591046D+01  0.240369D+00  0.480962D-01  0.262850D+00
               121           122           123           124           125 
      1   0.255050D+00 -0.145166D+01 -0.153713D+00  0.192654D+00  0.455588D+01
      2  -0.220073D-01 -0.199925D+01  0.855923D+00 -0.545954D+01  0.430320D+00
      3   0.223839D+01 -0.159426D+01  0.158479D+01  0.586399D+00  0.223620D+01
               126           127           128           129           130 
      1  -0.100711D+01  0.165240D+01 -0.226909D+00 -0.330244D+01  0.933075D+00
      2  -0.120004D+02 -0.237974D+01 -0.281059D+00  0.440250D+01  0.359619D+00
      3  -0.160415D+01  0.544230D+01 -0.719644D+01 -0.244086D+01  0.383293D+01
               131           132           133           134           135 
      1   0.110823D+02 -0.218092D+01 -0.167620D+01  0.553241D+01  0.542885D+01
      2  -0.431923D+01  0.482344D+00 -0.426852D+00  0.138917D+00 -0.253295D+01
      3   0.933408D+01  0.440347D+01 -0.540377D+01  0.815613D+01  0.293581D+01
               136           137           138           139           140 
      1  -0.182714D+01  0.163693D+00 -0.102245D+01  0.525884D+00 -0.170190D+01
      2   0.108355D+01  0.591077D+00  0.159735D+01  0.710457D+00  0.710163D+00
      3   0.101816D+01 -0.173447D+01  0.167169D+01  0.560017D-02  0.163979D+01
               141           142           143           144           145 
      1   0.517312D+00 -0.851234D+00  0.491503D+01 -0.865618D+01 -0.275182D+00
      2  -0.113953D+01 -0.334350D+01 -0.141580D+00  0.925955D+01  0.465643D+01
      3  -0.984970D+00  0.317326D+01 -0.169282D+01  0.241148D+01 -0.185904D+02
               146           147           148           149           150 
      1  -0.296920D+00  0.296739D+01 -0.173180D+00  0.195100D+00 -0.814407D+00
      2  -0.107047D+01  0.277118D+01 -0.679383D+00  0.818268D+00 -0.734034D+00
      3  -0.168028D-01  0.811893D+00  0.150534D+01 -0.266040D+01 -0.649055D+00
               151           152           153           154           155 
      1   0.146656D+01 -0.330882D+00 -0.776979D+00 -0.636823D-02  0.184516D-01
      2   0.505051D+00 -0.793989D+00 -0.324835D+00 -0.222370D+01 -0.156146D+01
      3  -0.850296D+00 -0.537165D+00 -0.750766D+00 -0.756813D+01 -0.806698D+01
               156           157           158           159           160 
      1  -0.749754D+00  0.373822D+00 -0.809511D+00 -0.974962D+00 -0.281531D+00
      2   0.368044D+01 -0.220704D+01 -0.244582D+01  0.369759D+01  0.248239D+01
      3   0.170854D+01 -0.763124D+01 -0.136446D+02  0.244425D+01  0.301258D+01
               161           162           163           164           165 
      1   0.785683D+00  0.358652D+00 -0.161576D+01  0.184757D+01  0.155833D+01
      2   0.183746D+01 -0.150503D+01  0.217324D+00  0.604395D-01 -0.526951D+00
      3   0.396355D+01 -0.167096D+01 -0.489370D+01  0.500834D+01  0.169889D+01
               166           167           168           169           170 
      1   0.103507D+01 -0.672789D+01 -0.504427D+01  0.471810D+00 -0.310957D+01
      2  -0.553746D-01  0.741985D+00  0.118562D+01 -0.106534D+01  0.114888D+01
      3   0.609374D+01 -0.136884D+02 -0.216220D+01  0.280377D+01 -0.390676D+01
               171           172           173           174           175 
      1  -0.154085D+01  0.242124D+01  0.286460D+01  0.172087D+01  0.140419D+01
      2   0.357009D+00 -0.529076D+00 -0.567600D+01  0.119005D+02 -0.420863D+01
      3  -0.182054D+01 -0.755711D+01 -0.994126D+01  0.274134D+01 -0.625552D+01
               176           177           178           179           180 
      1   0.354484D+01 -0.362796D+01  0.600963D+00  0.442329D+01  0.503993D+01
      2  -0.222843D+01  0.369681D+01  0.470003D+01 -0.617946D+00  0.131175D+02
      3  -0.566901D+01  0.301459D+00  0.157412D+01  0.803353D+00  0.136935D-01
               181           182           183           184           185 
      1  -0.201156D+01 -0.152491D+01 -0.390568D+00 -0.169939D+01 -0.315928D+01
      2  -0.804188D+00  0.110962D+00  0.384149D+01  0.109246D+01 -0.271120D+01
      3  -0.823548D+01 -0.796415D+01  0.171352D+01 -0.663952D+01 -0.140390D+02
               186           187           188           189           190 
      1  -0.764564D-01  0.363443D+00  0.220734D+01 -0.560817D+00  0.118264D+00
      2   0.407939D+01  0.183517D+01  0.199946D+01 -0.125858D+01 -0.297584D+01
      3   0.434784D+01  0.149209D+01  0.379840D+01 -0.274780D+01  0.232313D+01
               191           192           193           194           195 
      1  -0.107005D+01  0.874245D+00 -0.127560D+01  0.299059D+01 -0.250638D+01
      2   0.127236D+01  0.285235D+01  0.977677D+00 -0.596790D+01 -0.914416D+01
      3  -0.464047D+01 -0.107432D+01 -0.423691D+01  0.132018D+02  0.699496D+01
               196           197           198           199           200 
      1   0.418486D+00  0.151581D+01 -0.167246D+01 -0.443526D+00  0.173213D+01
      2   0.196621D+01 -0.621903D+01 -0.899209D+01  0.768581D+00 -0.230726D+00
      3  -0.139469D+01  0.667012D+01  0.591022D+01 -0.226235D+01  0.402199D+01
               201           202           203           204           205 
      1   0.155759D+01  0.411424D+00 -0.712493D+01 -0.593327D+01  0.226464D+00
      2  -0.178339D+00 -0.672756D+00  0.257305D+01  0.207053D+01 -0.979674D+00
      3   0.144159D+01  0.429318D+01 -0.153688D+02 -0.368645D+01  0.235417D+01
               206           207           208           209           210 
      1  -0.545311D+01 -0.330999D+01 -0.202987D+01 -0.270065D+01 -0.632337D+00
      2   0.257292D+01  0.129771D+01  0.597910D+01  0.463510D+01 -0.519890D+01
      3  -0.680112D+01 -0.331969D+01  0.703019D+01  0.577896D+01 -0.242458D+01
               211           212           213           214           215 
      1  -0.216554D+01 -0.294752D+01 -0.328633D+00  0.208884D+00  0.196409D+01
      2   0.414927D+01  0.724427D+01 -0.653734D+01 -0.328909D+01 -0.389470D+01
      3   0.688623D+01  0.897172D+01 -0.481980D+01 -0.181309D+01 -0.406991D+01
               216 
      1   0.371764D+00
      2   0.588642D+01
      3   0.359506D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.542865D+01 -0.613727D+01 -0.730881D+00 -0.395085D+01  0.495092D+01
      2  -0.215762D+01  0.920268D+01  0.383836D+00  0.645060D+01 -0.129882D+02
      3  -0.327103D+01 -0.306541D+01  0.347045D+00 -0.249975D+01  0.803726D+01
      4  -0.242522D+01 -0.558808D+01 -0.811771D-01 -0.974261D+01  0.787169D+01
      5   0.130338D+01 -0.153937D+01 -0.358443D+01 -0.339244D+01  0.185807D+01
      6   0.126051D+01  0.223717D+01  0.538023D+01  0.286534D+01 -0.728631D+01
                 6             7             8             9            10 
      1   0.362444D+01  0.119330D+01  0.430175D+01  0.526057D+01 -0.275655D+02
      2  -0.212435D+01  0.324501D+01 -0.110071D+02  0.311691D+01  0.146378D+02
      3  -0.150009D+01 -0.443832D+01  0.670537D+01 -0.837748D+01  0.129277D+02
      4   0.261308D+01 -0.203008D+01  0.671855D+01  0.545945D+01  0.373783D+01
      5   0.309812D+01 -0.306110D+01  0.347284D+01 -0.162788D+02 -0.103580D+01
      6  -0.762806D+01  0.469977D+01 -0.489858D+01  0.199385D+02 -0.487258D+00
                11            12            13            14            15 
      1  -0.104476D+01  0.148341D+01  0.307232D+01  0.869174D+01  0.170045D+00
      2   0.301103D+01  0.158650D+01 -0.154459D+01 -0.331308D+01 -0.882427D+00
      3  -0.196627D+01 -0.306991D+01 -0.152773D+01 -0.537866D+01  0.712382D+00
      4   0.636503D+00  0.309197D-01  0.791471D+01  0.644018D+00 -0.242599D+01
      5  -0.315761D+00  0.800029D+00  0.940729D+00 -0.178138D+01 -0.529402D+01
      6   0.494598D+00  0.208944D+01 -0.918968D+00 -0.336431D+00 -0.299275D+00
                16            17            18            19            20 
      1  -0.517519D+01  0.173837D+01  0.129856D+02 -0.200703D+01  0.505110D+01
      2   0.316276D+01 -0.474551D+01  0.180072D+01 -0.103650D+00 -0.100235D+02
      3   0.201243D+01  0.300714D+01 -0.147864D+02  0.211068D+01  0.497241D+01
      4   0.213653D+01 -0.305431D+01 -0.284504D+01 -0.132656D+01 -0.793732D+01
      5   0.667550D+01 -0.310532D+01  0.222281D+02  0.136152D+01  0.293671D+01
      6   0.727240D+00  0.334006D+00  0.525412D+01 -0.357889D-01  0.380733D+01
                21            22            23            24            25 
      1  -0.173799D+01  0.243886D+01 -0.259027D+01 -0.321651D+01  0.158190D+01
      2   0.423254D+00 -0.718777D+01 -0.762865D+00  0.334083D+01  0.330009D+01
      3   0.131473D+01  0.474891D+01  0.335314D+01 -0.124326D+00 -0.488199D+01
      4   0.133084D+01 -0.115580D+02 -0.619181D+01  0.190930D+01  0.368205D+01
      5  -0.415974D+01  0.141263D+01  0.365078D+01 -0.196173D+00 -0.184826D+01
      6  -0.562293D+01  0.289437D+01  0.482723D+01 -0.214913D+01 -0.367477D+01
                26            27            28            29            30 
      1  -0.148458D+01 -0.196817D+01 -0.157558D+02  0.763316D+01 -0.108999D+01
      2   0.568459D+01  0.558714D+01  0.728848D+01 -0.842042D+01  0.171473D+01
      3  -0.420001D+01 -0.361897D+01  0.846732D+01  0.787260D+00 -0.624740D+00
      4   0.642541D+01 -0.102739D+01  0.181134D+00 -0.211668D+01 -0.374385D+00
      5   0.696917D+00 -0.991095D+01 -0.223219D+01 -0.123132D+01 -0.204392D+01
      6   0.128531D+01 -0.155435D+02 -0.230514D+00 -0.238852D+01 -0.658918D+00
                31            32            33            34            35 
      1   0.454378D+01  0.111325D+02 -0.345175D+01 -0.616878D+01 -0.160774D+00
      2  -0.327723D+01 -0.116308D+02 -0.378767D+01  0.327675D+01 -0.729571D+00
      3  -0.126655D+01  0.498309D+00  0.723942D+01  0.289203D+01  0.890345D+00
      4  -0.257274D+01 -0.824391D+01 -0.516611D+01  0.442946D+01 -0.225369D+01
      5   0.159421D+01 -0.761730D+01 -0.791922D+01  0.324001D+00 -0.237832D+01
      6  -0.424943D+01  0.337144D+01 -0.914629D+00 -0.136921D+01  0.115918D+01
                36            37            38            39            40 
      1   0.166294D+02  0.116429D+02 -0.262556D+01  0.130928D+01 -0.136471D+01
      2   0.124770D+02 -0.683685D+01  0.226259D+01 -0.159668D+01  0.210660D+01
      3  -0.291064D+02 -0.480603D+01  0.362972D+00  0.287402D+00 -0.741891D+00
      4  -0.297810D+01 -0.916238D+01  0.132722D+02 -0.638785D-01  0.127089D+02
      5   0.184154D+02  0.176553D+01  0.582889D+00  0.155581D+02 -0.125386D+01
      6   0.343096D+00  0.106566D+01  0.674243D+00  0.460483D+01  0.124105D+01
                41            42            43            44            45 
      1  -0.125929D+02  0.337900D+01  0.319467D+01  0.212474D+01 -0.483524D+01
      2   0.182449D+02  0.139689D+01 -0.406679D+01 -0.309214D+01 -0.306569D+01
      3  -0.565198D+01 -0.477590D+01  0.872112D+00  0.967394D+00  0.790093D+01
      4  -0.431495D+00  0.766623D+00 -0.534734D+01 -0.732201D+00 -0.178629D+01
      5   0.191408D+01  0.263853D+01  0.457875D+01 -0.148160D+01  0.152999D+01
      6  -0.451624D+00  0.567871D+01 -0.143846D+01  0.474929D+01  0.372258D+00
                46            47            48            49            50 
      1  -0.108100D+02  0.579277D+01  0.230646D+01 -0.218145D+01 -0.368414D+01
      2   0.899175D+01 -0.739398D+01  0.144590D+01 -0.509802D+01 -0.312449D+01
      3   0.181826D+01  0.160121D+01 -0.375236D+01  0.727948D+01  0.680863D+01
      4   0.661162D+01 -0.135061D+02 -0.151064D+01 -0.149179D+02 -0.863063D+01
      5   0.144333D+01 -0.269909D+00 -0.150196D+02  0.179795D+01  0.197227D+01
      6  -0.355847D+00  0.127220D+01 -0.843521D+01  0.267851D+00  0.542745D+01
                51            52            53            54            55 
      1  -0.449478D+01  0.374452D+01 -0.394845D+01  0.463011D+01 -0.145269D+02
      2  -0.586114D+00  0.352859D+01  0.738075D+01  0.152119D+02  0.606001D+01
      3   0.508089D+01 -0.727311D+01 -0.343230D+01 -0.198420D+02  0.846691D+01
      4   0.259433D+01  0.260541D+01  0.581253D+01 -0.298738D+00  0.221355D+02
      5   0.288499D+01 -0.600946D+01  0.842576D+00 -0.199883D+02  0.141179D+01
      6  -0.162151D+01 -0.358100D+01  0.174274D+01 -0.191901D+02  0.229387D+01
                56            57            58            59            60 
      1   0.296197D+01 -0.682913D+00  0.299583D+01 -0.245228D+02 -0.766385D+01
      2  -0.120850D+01  0.144685D+01 -0.590954D+01  0.407840D+02  0.583878D+01
      3  -0.175347D+01 -0.763932D+00  0.291371D+01 -0.162612D+02  0.182508D+01
      4   0.127292D+01  0.851980D+00  0.105095D+02 -0.202096D+02 -0.517982D+01
      5  -0.378641D+00  0.359834D+01  0.213551D+01 -0.378417D+01 -0.231321D+01
      6  -0.956584D-01  0.437536D+00 -0.277674D+01  0.129847D+02  0.123253D+02
                61            62            63            64            65 
      1  -0.928975D+00 -0.962584D+01 -0.862793D+01  0.121547D+01  0.695467D+00
      2  -0.144486D+01  0.131422D+02  0.351539D+01 -0.311455D+01 -0.152414D+01
      3   0.237384D+01 -0.351633D+01  0.511254D+01  0.189908D+01  0.828668D+00
      4   0.673874D+01 -0.945475D+01 -0.535430D+01 -0.142271D+01  0.360696D+01
      5   0.532285D+01 -0.517838D+01 -0.338595D+01  0.418661D+01 -0.123292D+01
      6  -0.352239D+01  0.150904D+02  0.785754D+01 -0.347618D+01  0.381778D+00
                66            67            68            69            70 
      1   0.199777D+01  0.898541D+00 -0.359551D+01  0.285255D+01  0.145310D+01
      2  -0.246953D+01 -0.159064D+01  0.285582D+01 -0.285464D+01 -0.271208D+01
      3   0.471758D+00  0.692097D+00  0.739686D+00  0.209376D-02  0.125898D+01
      4  -0.310607D+01  0.314836D+01 -0.269069D+01  0.252748D+01 -0.463459D+01
      5   0.811686D+01 -0.204773D+00  0.248616D+01 -0.129709D+01  0.636011D+01
      6  -0.209505D+01  0.105886D+01 -0.418213D+01  0.753071D+01 -0.344725D+01
                71            72            73            74            75 
      1   0.428423D+01 -0.118402D+02  0.472243D+02 -0.147507D+02  0.310936D+01
      2  -0.358353D+01 -0.110580D+02 -0.282787D+02  0.725250D+01 -0.199591D+01
      3  -0.700700D+00  0.228982D+02 -0.189456D+02  0.749819D+01 -0.111346D+01
      4   0.407625D+01 -0.381270D+01 -0.179293D+02  0.195291D+01  0.301740D+01
      5  -0.257386D+01  0.175065D+02  0.535342D+01  0.399349D+01  0.844237D+01
      6   0.688745D+01 -0.222468D+02  0.586642D+00  0.226702D+00 -0.166913D+01
                76            77            78            79            80 
      1  -0.303870D+02 -0.845523D+01  0.351644D+01  0.162065D+02  0.345868D+01
      2   0.165602D+02  0.749993D+01 -0.157315D+01 -0.874708D+01 -0.153997D+01
      3   0.138269D+02  0.955296D+00 -0.194329D+01 -0.745942D+01 -0.191871D+01
      4  -0.308505D+01 -0.208174D+02  0.573283D+01  0.324342D+01  0.740972D+01
      5   0.446551D+01  0.686368D+01 -0.530995D+01  0.928759D+01 -0.329493D+01
      6   0.180983D+01  0.180114D+01  0.356743D+01 -0.101244D+01  0.225443D+01
                81            82            83            84            85 
      1   0.218687D+01  0.812067D-01  0.191309D+00 -0.548481D+01  0.696063D+00
      2  -0.484288D+01 -0.296779D+01  0.984394D-01  0.734693D+00 -0.373047D+00
      3   0.265601D+01  0.288658D+01 -0.289749D+00  0.475012D+01 -0.323016D+00
      4  -0.308331D+01 -0.218764D+00  0.144456D+00 -0.251858D+00  0.238037D+00
      5   0.269451D+01 -0.222887D+01 -0.281472D+00  0.294589D+01 -0.187880D+00
      6   0.435278D+00 -0.733761D+00  0.400227D+00 -0.650352D+00  0.457216D-01
                86            87            88            89            90 
      1  -0.478895D+01  0.165743D+01 -0.716187D+01  0.157080D+01 -0.168080D+02
      2   0.844823D+00 -0.561587D-01  0.329048D+01  0.526444D+00 -0.134305D+02
      3   0.394412D+01 -0.160127D+01  0.387139D+01 -0.209725D+01  0.302385D+02
      4   0.137650D+01 -0.220676D+01 -0.892460D+00 -0.383226D+01  0.163767D+01
      5  -0.242273D+01  0.229917D+01  0.380488D+01  0.209725D+01 -0.208072D+02
      6  -0.160956D+01  0.739474D+01 -0.177059D+00  0.413275D+01 -0.489774D+01
                91            92            93            94            95 
      1   0.170264D+01 -0.159559D+01  0.191111D+01 -0.132763D+01 -0.756897D+00
      2  -0.318511D+01  0.251166D+01 -0.141583D+01  0.203194D+01 -0.104653D+01
      3   0.148247D+01 -0.916077D+00 -0.495284D+00 -0.704314D+00  0.180343D+01
      4   0.642315D+00  0.279457D+01  0.135106D+01  0.317939D+01  0.687703D+00
      5   0.340184D+01 -0.356142D+00  0.563487D+01 -0.373570D-01  0.197227D+01
      6   0.216173D+01 -0.215207D-01  0.169926D+01  0.509361D+00  0.148677D+01
                96            97            98            99           100 
      1  -0.118398D+01  0.160408D+01 -0.289869D+01 -0.855145D+01  0.115394D+02
      2   0.187824D+01 -0.347249D+01  0.445820D+01 -0.122796D+02 -0.206016D+01
      3  -0.694258D+00  0.186841D+01 -0.155950D+01  0.208310D+02 -0.947925D+01
      4   0.232093D+01  0.261458D+01  0.309587D+01  0.100819D+01  0.190176D+02
      5   0.137763D+00  0.560248D+01 -0.232297D+00  0.128263D+02 -0.458802D+01
      6   0.424878D+01  0.231519D+01  0.307345D+01  0.145443D+02 -0.587116D+01
               101           102           103           104           105 
      1  -0.899604D+01 -0.479667D+00 -0.384695D+01  0.872288D+01  0.603819D+01
      2   0.204224D+02  0.242610D+01  0.121099D+02 -0.857872D+01 -0.867082D+01
      3  -0.114264D+02 -0.194643D+01 -0.826292D+01 -0.144158D+00  0.263263D+01
      4   0.217177D+02 -0.411165D+01  0.187764D+02  0.124183D+02 -0.436066D+01
      5  -0.144263D+01  0.854308D+01 -0.103906D+01 -0.720405D+01  0.134972D+01
      6  -0.342542D+01  0.633450D+01 -0.269044D+01 -0.108343D+02  0.666514D+01
               106           107           108           109           110 
      1  -0.188190D+01  0.107887D+02 -0.128367D+01  0.119125D+02 -0.142851D+02
      2   0.297033D+00 -0.172361D+02 -0.214176D+01 -0.817312D+01  0.106690D+02
      3   0.158487D+01  0.644739D+01  0.342543D+01 -0.373936D+01  0.361613D+01
      4  -0.782226D+01 -0.106409D+02  0.596018D+01 -0.125072D+02 -0.136301D+02
      5   0.790839D+01  0.334502D+01 -0.367373D+01  0.709427D+01  0.958518D-01
      6   0.750056D+01  0.894037D+01 -0.734198D+01 -0.159576D+01  0.534875D+01
               111           112           113           114           115 
      1   0.729566D+01 -0.152070D+02 -0.185921D+02  0.282143D+01  0.100531D+02
      2  -0.130037D+01  0.108836D+02  0.673361D+01 -0.600141D+01 -0.355569D+01
      3  -0.599529D+01  0.432337D+01  0.118585D+02  0.317998D+01 -0.649739D+01
      4  -0.188416D+01 -0.240022D+02  0.766933D+01  0.218455D+02 -0.295180D+01
      5  -0.858619D+01 -0.109425D+01  0.249001D+02  0.151209D+02 -0.269713D+02
      6   0.325208D+01  0.926389D+01 -0.911180D+01 -0.100133D+02  0.890110D+01
               116           117           118           119           120 
      1   0.294323D+01 -0.114407D+02  0.113533D+01 -0.132037D+00 -0.456128D+01
      2  -0.281855D+01  0.449004D+01 -0.439264D+01  0.129716D+00  0.108935D+01
      3  -0.124680D+00  0.695065D+01  0.325731D+01  0.232004D-02  0.347193D+01
      4   0.178806D+02  0.176726D+02 -0.203107D+00  0.139345D+01  0.102354D+01
      5   0.173118D+02 -0.469769D+01 -0.361562D+01  0.120938D+00  0.620897D+01
      6  -0.161633D+02 -0.406252D+01  0.514545D+00  0.595229D+00 -0.333325D+00
               121           122           123           124           125 
      1   0.329786D-01 -0.512153D+01  0.722587D+00 -0.409951D+01  0.103381D+01
      2  -0.408831D+00  0.861147D+00  0.173065D+01  0.482856D+01  0.777543D+00
      3   0.375852D+00  0.426038D+01 -0.245323D+01 -0.729049D+00 -0.181135D+01
      4   0.137933D+01  0.153049D+01 -0.194810D+01  0.107345D+01 -0.250580D+01
      5  -0.590761D+00 -0.254008D+01  0.208999D+01  0.710430D+01  0.116384D+01
      6   0.153610D+00 -0.334715D+00  0.749804D+01  0.634377D+00  0.513700D+01
               126           127           128           129           130 
      1  -0.215647D+02  0.105734D+02 -0.713129D+01 -0.268069D+01 -0.644977D+00
      2  -0.188531D+02  0.614042D+00  0.187116D+02  0.374404D+01  0.993309D+01
      3   0.404178D+02 -0.111875D+02 -0.115803D+02 -0.106335D+01 -0.928811D+01
      4   0.153821D+01  0.165039D+02  0.222183D+02 -0.336484D+01  0.191261D+02
      5  -0.205074D+02 -0.270200D+01  0.503375D+00  0.728126D+01 -0.267191D+00
      6   0.231833D+01 -0.380165D+01  0.116552D+01  0.590000D+01  0.356838D+00
               131           132           133           134           135 
      1   0.123957D+02  0.103070D+02 -0.436880D+01  0.165975D+02  0.828964D+00
      2  -0.117309D+02 -0.140270D+02  0.391603D+00 -0.288123D+02 -0.576777D+01
      3  -0.664769D+00  0.372001D+01  0.397720D+01  0.122148D+02  0.493880D+01
      4   0.116766D+02 -0.528318D+01 -0.920474D+01 -0.155540D+02  0.376498D+01
      5  -0.682026D+01  0.498632D+00  0.678357D+01  0.484552D+00 -0.435146D+01
      6  -0.190721D+02  0.381598D+01  0.581211D+01  0.326396D+01 -0.983661D+01
               136           137           138           139           140 
      1   0.169865D+01 -0.315785D+00  0.210758D+01 -0.115751D+01 -0.199434D+01
      2  -0.475310D+01  0.435628D+00 -0.276184D+01  0.202380D+01 -0.692503D+00
      3   0.305445D+01 -0.119843D+00  0.654255D+00 -0.866286D+00  0.268684D+01
      4   0.142159D+01  0.334673D+01  0.328295D+01  0.324266D+01  0.285929D+00
      5   0.557251D+01  0.986928D+00  0.983844D+01 -0.543396D+00  0.269450D+01
      6   0.345240D+01  0.906706D+00  0.258707D+01  0.926594D+00  0.206414D+01
               141           142           143           144           145 
      1  -0.919982D+00  0.596646D+00 -0.266109D+01 -0.146399D+02  0.237113D+02
      2   0.383372D+01 -0.420219D+01  0.343455D+01 -0.185012D+02 -0.463419D+01
      3  -0.291374D+01  0.360554D+01 -0.773455D+00  0.331411D+02 -0.190771D+02
      4   0.211964D+01  0.535619D+01  0.513799D+01  0.217167D+01 -0.365675D+02
      5  -0.249253D+01  0.969461D+01  0.175326D+01  0.215201D+02 -0.622363D+01
      6   0.482729D+01  0.407625D+01  0.582581D+01  0.202286D+02  0.203716D+01
               146           147           148           149           150 
      1  -0.296326D+01 -0.279133D+00 -0.141385D+01  0.154519D+01  0.431246D+00
      2  -0.731955D+01  0.769155D-01 -0.381416D+01  0.408281D+01 -0.211814D+00
      3   0.102828D+02  0.202218D+00  0.522802D+01 -0.562800D+01 -0.219433D+00
      4   0.200101D+02  0.348806D+01  0.111652D+02 -0.751147D+01 -0.607000D+00
      5   0.289927D+01  0.468825D+01  0.113240D+01 -0.460669D+00 -0.150677D+01
      6  -0.282314D+01 -0.519898D+01 -0.123093D+01  0.296613D+00  0.156303D+01
               151           152           153           154           155 
      1   0.100860D+01  0.310043D+00  0.596025D+00  0.313741D+02  0.143496D+02
      2   0.586319D-01 -0.946028D+00 -0.854950D+00 -0.160075D+02 -0.711147D+01
      3  -0.106724D+01  0.635985D+00  0.258925D+00 -0.153666D+02 -0.723814D+01
      4  -0.760216D+00  0.559400D+00 -0.372663D+01  0.152458D+02  0.138572D+02
      5   0.488971D+01 -0.217653D+01 -0.118210D+01 -0.577103D+01 -0.336561D+01
      6  -0.344446D+01  0.337561D+01  0.176623D+01 -0.115138D+01 -0.724263D+00
               156           157           158           159           160 
      1  -0.493861D+01  0.259376D+02  0.136534D+02 -0.385785D+01 -0.857662D+01
      2   0.230284D+01 -0.130709D+02 -0.476595D+01  0.185562D+01  0.516110D+01
      3   0.263578D+01 -0.128667D+02 -0.888747D+01  0.200223D+01  0.341553D+01
      4  -0.288703D+01  0.187396D+02  0.198427D+02 -0.487699D+01 -0.490362D+01
      5   0.664216D+01 -0.524767D+01 -0.537076D+01  0.606864D+01  0.892250D+01
      6   0.859271D+00 -0.176781D+01 -0.151244D+01  0.147717D+01  0.176772D+01
               161           162           163           164           165 
      1  -0.442827D+01  0.513729D+01 -0.226540D+01  0.809013D+01  0.341026D+00
      2   0.256113D+01 -0.411010D+01  0.390441D+01 -0.117576D+02 -0.159595D+01
      3   0.186714D+01 -0.102718D+01 -0.163901D+01  0.366743D+01  0.125493D+01
      4  -0.586224D+01  0.389095D+01 -0.147922D+01  0.104739D+01  0.120262D+01
      5   0.446181D+01 -0.358058D+01  0.666558D+00 -0.979603D+00 -0.960239D+00
      6   0.256217D+01 -0.128595D+01  0.140286D+01  0.221762D+00 -0.156577D+01
               166           167           168           169           170 
      1   0.371809D+01 -0.270798D+02 -0.221727D+01  0.114980D+01 -0.665342D+01
      2  -0.292304D+01  0.473688D+02  0.576709D+01 -0.890028D+00  0.113869D+02
      3  -0.795050D+00 -0.202890D+02 -0.354982D+01 -0.259769D+00 -0.473350D+01
      4   0.580832D+01  0.127202D+02  0.110351D+01  0.199882D+01  0.384572D+01
      5  -0.113194D+01  0.324240D+01  0.269922D+01  0.803325D+00  0.241481D+01
      6  -0.622891D+00  0.115866D+01  0.631099D+01 -0.498914D+00  0.693891D+01
               171           172           173           174           175 
      1  -0.469269D+01  0.291893D+02  0.876655D+01  0.331491D+01  0.117721D+02
      2   0.501803D+01 -0.178670D+02 -0.731050D+01 -0.564038D+01 -0.935474D+01
      3  -0.325340D+00 -0.113223D+02 -0.145605D+01  0.232547D+01 -0.241737D+01
      4   0.133135D+01 -0.360160D+01  0.134367D+02 -0.633209D+01  0.127968D+02
      5   0.747023D+00  0.157402D+02 -0.385212D+01  0.192923D+02 -0.203307D+01
      6   0.180933D+01 -0.389115D+00  0.775466D+01 -0.676562D+01  0.580890D+01
               176           177           178           179           180 
      1   0.135986D+02 -0.485985D+01  0.651569D+01 -0.732037D+01  0.813700D+01
      2  -0.618733D+01  0.213567D+01 -0.716263D+01  0.252568D+01 -0.176609D+02
      3  -0.741130D+01  0.272417D+01  0.646942D+00  0.479469D+01  0.952391D+01
      4   0.242991D+01  0.293218D+01 -0.700283D+01  0.110952D+01 -0.916353D+01
      5   0.431124D+01  0.320071D+01  0.288745D+02 -0.844427D+01  0.278229D+02
      6   0.361356D+01  0.142460D+01 -0.909019D+01  0.967329D+01 -0.302488D+01
               181           182           183           184           185 
      1   0.316488D+02  0.158288D+02 -0.681063D+01  0.262132D+02  0.131816D+02
      2  -0.169645D+02 -0.857881D+01  0.404185D+01 -0.148035D+02 -0.494485D+01
      3  -0.146843D+02 -0.725001D+01  0.276879D+01 -0.114097D+02 -0.823673D+01
      4   0.144267D+02  0.131967D+02 -0.257410D+01  0.160572D+02  0.202698D+02
      5  -0.103922D+02 -0.450018D+01  0.929204D+01 -0.745816D+01 -0.100123D+02
      6  -0.129545D+01 -0.248895D+01  0.201903D+00 -0.296104D+01 -0.235264D+01
               186           187           188           189           190 
      1  -0.435704D+01 -0.777182D+01 -0.225037D+01  0.603430D+01  0.126487D+02
      2   0.367289D+01  0.551400D+01  0.247881D+01 -0.538633D+01 -0.445834D+01
      3   0.684157D+00  0.225782D+01 -0.228444D+00 -0.647972D+00 -0.819035D+01
      4  -0.816920D+01 -0.252317D+01 -0.622457D+01  0.447949D+01 -0.127809D+02
      5   0.833785D+01  0.120164D+02  0.597715D+01 -0.599416D+01 -0.121810D+02
      6   0.268418D+01  0.852022D+00  0.385017D+01 -0.191018D+01  0.560254D+01
               191           192           193           194           195 
      1  -0.735653D+01 -0.796715D+01 -0.117130D+02  0.399401D+01  0.235540D+00
      2   0.164007D+01  0.391426D+01  0.193967D+01  0.843279D+01  0.287878D+01
      3   0.571646D+01  0.405289D+01  0.977334D+01 -0.124268D+02 -0.311432D+01
      4   0.136997D+02  0.703250D+01  0.238883D+02 -0.319399D+02 -0.178072D+02
      5   0.657605D+01  0.102113D+02  0.122656D+02 -0.189607D+02 -0.204700D+02
      6  -0.410830D+01 -0.396051D+01 -0.820271D+01  0.154770D+02  0.141604D+02
               196           197           198           199           200 
      1  -0.923272D+01  0.159474D+00  0.152629D+01 -0.147951D+01  0.966061D+01
      2   0.528913D+01  0.129916D+01 -0.279170D+01  0.364593D+01 -0.131099D+02
      3   0.394360D+01 -0.145864D+01  0.126540D+01 -0.216642D+01  0.344927D+01
      4   0.107846D+02 -0.152520D+02 -0.155192D+02  0.127085D+01  0.351439D+01
      5   0.161182D+02 -0.163433D+02 -0.221561D+02  0.985653D+00 -0.156256D+00
      6  -0.706930D+01  0.125462D+02  0.135410D+02  0.213585D+01 -0.340729D+01
               201           202           203           204           205 
      1   0.240564D+01  0.313737D+01 -0.324365D+02 -0.736105D+01  0.174255D+01
      2  -0.314165D+01 -0.111876D+01  0.566439D+02  0.120043D+02 -0.961477D+00
      3   0.736004D+00 -0.201861D+01 -0.242074D+02 -0.464324D+01 -0.781069D+00
      4   0.143284D+01  0.660726D+01  0.196423D+02  0.332885D+01  0.313869D+01
      5   0.196230D+00  0.404895D-01  0.602230D+01  0.414816D+01  0.135009D+01
      6  -0.244706D+01 -0.397375D+00  0.151318D+02  0.992107D+01 -0.130146D+00
               206           207           208           209           210 
      1  -0.143846D+02 -0.799620D+01 -0.115334D+02 -0.101094D+02  0.746589D+01
      2   0.223185D+02  0.996683D+01  0.742091D+01  0.662194D+01 -0.221515D+01
      3  -0.793392D+01 -0.197063D+01  0.411245D+01  0.348748D+01 -0.525074D+01
      4   0.825831D+01  0.345901D+01 -0.386650D+00 -0.513092D+01  0.262959D+01
      5   0.542988D+01  0.267230D+01 -0.111293D+01  0.133884D+01 -0.599329D+01
      6   0.146635D+02  0.752164D+01 -0.308991D+01 -0.600380D+01  0.605672D+01
               211           212           213           214           215 
      1  -0.130509D+02 -0.144621D+02  0.773972D+01  0.651959D+01  0.641693D+01
      2   0.801365D+01  0.130266D+02 -0.538131D+01 -0.293059D+01 -0.355200D+01
      3   0.503721D+01  0.143552D+01 -0.235841D+01 -0.358899D+01 -0.286493D+01
      4   0.679839D+00 -0.112150D+02  0.643999D+01  0.271177D+00  0.503686D+01
      5  -0.130324D+01  0.508655D+01 -0.777346D+01  0.155572D+01 -0.305928D+01
      6  -0.318062D+01 -0.104240D+02  0.847524D+01  0.235289D+01  0.678546D+01
               216 
      1  -0.766561D+01
      2   0.159852D+01
      3   0.606710D+01
      4  -0.277849D+01
      5   0.675468D+01
      6  -0.645749D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136015D+01      0.345715D+01      0.115318D+02
   x         -0.950150D+00     -0.241504D+01     -0.805570D+01
   y         -0.753182D+00     -0.191440D+01     -0.638574D+01
   z         -0.616387D+00     -0.156670D+01     -0.522595D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929469D+02      0.137733D+02      0.153249D+02
   aniso      0.213822D+02      0.316851D+01      0.352545D+01
   xx         0.102931D+03      0.152528D+02      0.169710D+02
   yx         0.159990D+01      0.237081D+00      0.263788D+00
   yy         0.962713D+02      0.142659D+02      0.158730D+02
   zx        -0.238553D+01     -0.353498D+00     -0.393320D+00
   zy         0.473170D+00      0.701166D-01      0.780152D-01
   zz         0.796384D+02      0.118012D+02      0.131306D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100080D+03      0.148303D+02      0.165010D+02
   aniso      0.209219D+02      0.310030D+01      0.344955D+01
   xx         0.110087D+03      0.163133D+02      0.181509D+02
   yx         0.118364D+01      0.175398D+00      0.195156D+00
   yy         0.103210D+03      0.152941D+02      0.170170D+02
   zx        -0.179674D+01     -0.266250D+00     -0.296243D+00
   zy         0.132408D+00      0.196209D-01      0.218312D-01
   zz         0.869430D+02      0.128836D+02      0.143350D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.39912675         -2.33431250         -0.04836402
     6         -2.30070132         -0.37188228          1.83434586
     6          0.29378760         -1.13896378         -2.03439620
     6          2.43542261          0.33495594         -0.77793958
     8          1.42932261          2.10928497          1.00144991
     6         -0.02703671          0.99390709          2.94675882
     8         -3.44426995         -3.50862369         -1.33194071
     1         -0.29941926         -3.76670575          0.97659628
     8         -3.71124891         -1.65924929          3.71916855
     1         -3.47132257          1.03635577          0.86578007
     1         -0.83204797          0.17328991         -3.17245860
     8          1.41355402         -3.01318805         -3.58987134
     6          3.98327536          1.87221410         -2.64395036
     1          3.68737216         -1.01074969          0.18802768
     8         -0.93666660          2.89708927          4.52422072
     1          1.15953638         -0.35088512          4.00280117
     1         -4.57680800         -4.18144818         -0.07174569
     1         -4.31416890         -0.42232833          4.91377704
     1          0.06420821         -4.05384447         -4.23818998
     8          2.52259535          3.76229577         -3.85298949
     1          4.69744744          0.62466809         -4.11594978
     1          5.59227212          2.70631076         -1.63962307
     1          0.46053870          3.65610318          5.41331163
     1          1.73239876          4.75285329         -2.54136350

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136015D+01      0.345715D+01      0.115318D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.136015D+01      0.345715D+01      0.115318D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929469D+02      0.137733D+02      0.153249D+02
   aniso      0.213822D+02      0.316851D+01      0.352545D+01
   xx         0.929163D+02      0.137688D+02      0.153198D+02
   yx         0.641705D+01      0.950909D+00      0.105803D+01
   yy         0.898541D+02      0.133150D+02      0.148149D+02
   zx        -0.885236D+01     -0.131178D+01     -0.145956D+01
   zy         0.481622D+01      0.713690D+00      0.794088D+00
   zz         0.960701D+02      0.142361D+02      0.158398D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100080D+03      0.148303D+02      0.165010D+02
   aniso      0.209219D+02      0.310030D+01      0.344955D+01
   xx         0.996037D+02      0.147597D+02      0.164224D+02
   yx         0.653103D+01      0.967799D+00      0.107682D+01
   yy         0.975664D+02      0.144578D+02      0.160865D+02
   zx        -0.882472D+01     -0.130769D+01     -0.145500D+01
   zy         0.419955D+01      0.622309D+00      0.692412D+00
   zz         0.103070D+03      0.152734D+02      0.169939D+02

 ----------------------------------------------------------------------
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 \NImag=0\\0.52247322,-0.00213101,0.48530827,0.02398021,-0.02032033,0.5
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 THERE IS MORE TO LIFE THAN INCREASING ITS SPEED.

                                       -- GANDHI
 Job cpu time:       0 days 12 hours  5 minutes 22.2 seconds.
 Elapsed time:       0 days  1 hours 30 minutes 43.9 seconds.
 File lengths (MBytes):  RWF=    462 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 12:43:29 2021.
